5,6-Dihydrofuro[2,3-d]pyrimidin-2-amine
PubChem CID
19690783
Structure
Chemical Safety
Molecular Formula
Synonyms
- 5,6-dihydrofuro[2,3-d]pyrimidin-2-amine
- 88513-35-3
- 5H,6H-furo[2,3-d]pyrimidin-2-amine
- Furo[2,3-d]pyrimidin-2-amine,5,6-dihydro-
- MFCD12197763
Molecular Weight
137.14 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2007-12-05
- Modify:2025-01-18
Chemical Structure Depiction
5,6-dihydrofuro[2,3-d]pyrimidin-2-amine
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C6H7N3O/c7-6-8-3-4-1-2-10-5(4)9-6/h3H,1-2H2,(H2,7,8,9)
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
GKTQSMMWWKODFZ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
C1COC2=NC(=NC=C21)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C6H7N3O
Computed by PubChem 2.1 (PubChem release 2021.05.07)
88513-35-3
107-099-0
- 5,6-dihydrofuro[2,3-d]pyrimidin-2-amine
- 88513-35-3
- 5H,6H-furo[2,3-d]pyrimidin-2-amine
- Furo[2,3-d]pyrimidin-2-amine,5,6-dihydro-
- MFCD12197763
- SCHEMBL9050761
- DTXSID80599225
- GKTQSMMWWKODFZ-UHFFFAOYSA-N
- ALBB-010779
- STL432346
- AKOS005172573
- DA-18477
- LS-03684
- furo[2,3-d]pyrimidin-2-amine, 5,6-dihydro-
- H25836
- 5,6-Dihydrofuro[2,3-d]pyrimidin-2-amine, AldrichCPR
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
137.14 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
0.2
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
137.058911855 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
137.058911855 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
61 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
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
130
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
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 2010.01.29)
NIST Number
386740
Library
Main library
Total Peaks
49
m/z Top Peak
137
m/z 2nd Highest
136
m/z 3rd Highest
53
Thumbnail
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Pictogram(s)
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)
ECHA C&L Notifications Summary
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Acute Tox. 4 (100%)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=GKTQSMMWWKODFZ-UHFFFAOYSA-N
- EPA DSSTox5,6-Dihydrofuro[2,3-d]pyrimidin-2-aminehttps://comptox.epa.gov/dashboard/DTXSID80599225
- 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-Dihydrofuro[2,3-D]Pyrimidin-2-Aminehttps://echa.europa.eu5,6-Dihydrofuro[2,3-D]Pyrimidin-2-Amine (EC: 107-099-0)https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/393528
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law5H,6H-Furo[2,3-d]pyrimidin-2-aminehttp://www.nist.gov/srd/nist1a.cfm
- Wikidata5,6-Dihydrofuro[2,3-d]pyrimidin-2-aminehttps://www.wikidata.org/wiki/Q82495101
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- PATENTSCOPE (WIPO)SID 388475766https://pubchem.ncbi.nlm.nih.gov/substance/388475766
CONTENTS