4-Amino-2-hydroxypyrimidine-5-carbonitrile
PubChem CID
910101
Structure
Molecular Formula
Synonyms
- 16462-28-5
- 4-amino-2-hydroxypyrimidine-5-carbonitrile
- 4-amino-2-oxo-1,2-dihydropyrimidine-5-carbonitrile
- 6-amino-2-oxo-1H-pyrimidine-5-carbonitrile
- 6-amino-2-oxo-1,2-dihydropyrimidine-5-carbonitrile
Molecular Weight
136.11 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-07-09
- Modify:2025-01-04
Chemical Structure Depiction
6-amino-2-oxo-1H-pyrimidine-5-carbonitrile
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C5H4N4O/c6-1-3-2-8-5(10)9-4(3)7/h2H,(H3,7,8,9,10)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
KFDKBQHGALFUAJ-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1=NC(=O)NC(=C1C#N)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C5H4N4O
Computed by PubChem 2.2 (PubChem release 2024.11.20)
16462-28-5
- 16462-28-5
- 4-amino-2-hydroxypyrimidine-5-carbonitrile
- 4-amino-2-oxo-1,2-dihydropyrimidine-5-carbonitrile
- 6-amino-2-oxo-1H-pyrimidine-5-carbonitrile
- 6-amino-2-oxo-1,2-dihydropyrimidine-5-carbonitrile
- 4-Amino-2-oxo-1,2-dihydro-pyrimidine-5-carbonitrile
- 5-Pyrimidinecarbonitrile, 4-amino-1,2-dihydro-2-oxo- (9CI)
- 5-Pyrimidinecarbonitrile, 6-amino-1,2-dihydro-2-oxo-
- DTXSID90358683
- 4-Amino-2-oxo-1,2-dihydro-5-pyrimidinecarbonitrile
- 5-cyanocytosine
- 4-amino-2-oxo-1H-pyrimidine-5-carbonitrile
- SCHEMBL3825045
- DTXCID10309738
- KFDKBQHGALFUAJ-UHFFFAOYSA-N
- BBL012794
- MFCD00767571
- MFCD09863919
- STK784021
- STK935569
- AKOS002664606
- AKOS005665306
- AKOS015902256
- SB57496
- SY263317
- VS-03520
- DB-064545
- EN300-102897
- F17272
- 5-Pyrimidinecarbonitrile, 4-amino-1,2-dihydro-2-oxo-
- F1918-0073
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
136.11 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
-0.7
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
136.03851076 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
136.03851076 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
91.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
279
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
327468
Library
Main library
Total Peaks
82
m/z Top Peak
136
m/z 2nd Highest
43
m/z 3rd Highest
66
Thumbnail
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=KFDKBQHGALFUAJ-UHFFFAOYSA-N
- EPA DSSTox4-amino-2-hydroxypyrimidine-5-carbonitrilehttps://comptox.epa.gov/dashboard/DTXSID90358683
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law5-Pyrimidinecarbonitrile, 4-amino-1,2-dihydro-2-oxo-http://www.nist.gov/srd/nist1a.cfm
- 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/
- Wikidata4-amino-2-hydroxypyrimidine-5-carbonitrilehttps://www.wikidata.org/wiki/Q82139439
- PubChem
- PATENTSCOPE (WIPO)SID 388662223https://pubchem.ncbi.nlm.nih.gov/substance/388662223
CONTENTS