5,6-Dimethyluracil
PubChem CID
96031
Structure
Molecular Formula
Synonyms
- 2,4-Dihydroxy-5,6-dimethylpyrimidine
- 26305-13-5
- 5,6-Dimethyluracil
- 5,6-dimethylpyrimidine-2,4-diol
- 2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl-
Molecular Weight
140.14 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-11
Chemical Structure Depiction
5,6-dimethyl-1H-pyrimidine-2,4-dione
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C6H8N2O2/c1-3-4(2)7-6(10)8-5(3)9/h1-2H3,(H2,7,8,9,10)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
PZVLJGKJIMBYNP-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1=C(NC(=O)NC1=O)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C6H8N2O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 2,4-Dihydroxy-5,6-dimethylpyrimidine
- 26305-13-5
- 5,6-Dimethyluracil
- 5,6-dimethylpyrimidine-2,4-diol
- 2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl-
- 6-Methylthymine
- 5,6-Dimethyl-2,4(1H,3H)-pyrimidinedione
- Uracil, 5,6-dimethyl-
- 5,6-dimethyl-1H-pyrimidine-2,4-dione
- EINECS 247-601-6
- 2SHU0QC17F
- NSC 163903
- 4,5-Dimethyluracil
- MFCD00010708
- NSC-49017
- UNII-2SHU0QC17F
- NSC-163903
- 2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl- (9CI)
- DTXSID60180918
- 5,6-dimethylpyrimidine-2,4(1H,3H)-dione
- dimethylpyrimidine-2,4-diol
- dimethyl uracil
- NSC49017
- SCHEMBL1258640
- CHEMBL1650610
- DTXCID00103409
- 5,6-Dimethyl-2,4-pyrimidinediol
- NSC163903
- 2.4-Dihydroxy-5.6-dimethylpyrimidine
- AKOS015842304
- AKOS025212978
- AKOS026732158
- CS-W005613
- DS-1022
- GS-5802
- SB57534
- SY009250
- DB-046924
- D1136
- NS00028081
- 2,4(1H,3H)-Pyrimidinedione,5,6-dimethyl-
- 2,4-Dihydroxy-5,6-dimethylpyrimidine, 97%
- 5,6-Dimethyl-2,4(1H,3H)-pyrimidinedione #
- J-016372
- 2,4(1H,3H)-PYRIMIDINEDIONE, 5,6-DIMETHYL-(9CI)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
140.14 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
-0.2
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
140.058577502 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
140.058577502 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
58.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
10
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
230
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
NIST Number
230781
Library
Main library
Total Peaks
74
m/z Top Peak
140
m/z 2nd Highest
42
m/z 3rd Highest
69
Thumbnail
NIST Number
280208
Library
Replicate library
Total Peaks
57
m/z Top Peak
140
m/z 2nd Highest
42
m/z 3rd Highest
43
Thumbnail
MoNA ID
MS Category
Experimental
MS Type
Other
MS Level
MS1
Ionization
Electron Impact (EI)
Ionization Mode
positive
Top 5 Peaks
140 100
42 61.62
97 17.17
139 14.14
69 13.13
Instrument Name
Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Technique
FT-Raman
Source of Spectrum
Bio-Rad Laboratories, Inc.
Source of Sample
TCI Chemicals India Pvt. Ltd.
Catalog Number
D1136
Lot Number
FHL01-CBPR
Copyright
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
New Zealand EPA Inventory of Chemical Status
2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=PZVLJGKJIMBYNP-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/5,6-Dimethyluracilhttps://commonchemistry.cas.org/detail?cas_rn=26305-13-5
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSTox2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl- (9CI)https://comptox.epa.gov/dashboard/DTXSID60180918CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice5,6-dimethyluracilhttps://echa.europa.eu/substance-information/-/substanceinfo/100.043.259
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- New Zealand Environmental Protection Authority (EPA)LICENSEThis work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.https://www.epa.govt.nz/about-this-site/general-copyright-statement/2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl-https://www.epa.govt.nz/industry-areas/hazardous-substances/guidance-for-importers-and-manufacturers/hazardous-substances-databases/
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- Japan Chemical Substance Dictionary (Nikkaji)
- MassBank of North America (MoNA)LICENSEThe content of the MoNA database is licensed under CC BY 4.0.https://mona.fiehnlab.ucdavis.edu/documentation/license
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law2,4-Dihydroxy-5,6-dimethylpyrimidinehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl-https://spectrabase.com/spectrum/1eYKCp644DG5,6-dimethyluracilhttps://spectrabase.com/spectrum/J35Tld7DjH32,4-Dihydroxy-5,6-dimethylpyrimidinehttps://spectrabase.com/spectrum/LMIyTzdzAyy5,6-dimethyluracilhttps://spectrabase.com/spectrum/3hJLcq1u9dc5,6-dimethyluracilhttps://spectrabase.com/spectrum/IjhYD4wXVj02,4-Dihydroxy-5,6-dimethyl-pyrimidinehttps://spectrabase.com/spectrum/LGJ9yAfhwUa2,4-Dihydroxy-5,6-dimethylpyrimidinehttps://spectrabase.com/spectrum/ALeyjUZOMRZ5,6-Dimethyluracilhttps://spectrabase.com/spectrum/EsnQWXHcbhp2,4-Dihydroxy-5,6-dimethylpyrimidinehttps://spectrabase.com/spectrum/7dONBQAfrJd5,6-Dimethyluracilhttps://spectrabase.com/spectrum/Bio473GRNMF2,4-Dihydroxy-5,6-dimethylpyrimidinehttps://spectrabase.com/spectrum/IeWCUgDfheg5,6-Dimethyluracilhttps://spectrabase.com/spectrum/LV8uBCMucsy2,4-Dihydroxy-5,6-dimethylpyrimidinehttps://spectrabase.com/spectrum/D8kZ3r2YgfB
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata5,6-Dimethyl-2,4(1H,3H)-pyrimidinedionehttps://www.wikidata.org/wiki/Q72471919
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403492890https://pubchem.ncbi.nlm.nih.gov/substance/403492890
CONTENTS