Basic information
- CAS
16462-28-5- Standard SMILES
N#Cc1cnc(=O)[nH]c1N- InChIKey
KFDKBQHGALFUAJ-UHFFFAOYSA-N- Molecular formula
- C5H4N4O
- Average molar mass
- 136.11 g/mol
- Monoisotopic mass
- 136.03851076
Names & identifiers
- Preferred name
- 4-Amino-2-hydroxypyrimidine-5-carbonitrile
- IUPAC
- 6-amino-2-oxo-1H-pyrimidine-5-carbonitrile
- English name
- 5-Pyrimidinecarbonitrile, 4-amino-1,2-dihydro-2-oxo- (9CI)
- Molecular formula
- C5H4N4O
- Molecular weight
- 136.11
Names & synonyms
16462-28-54-amino-2-hydroxypyrimidine-5-carbonitrileDTXSID90358683RefChem:289842DTXCID103097384-amino-2-oxo-1,2-dihydropyrimidine-5-carbonitrile6-amino-2-oxo-1H-pyrimidine-5-carbonitrile6-amino-2-oxo-1,2-dihydropyrimidine-5-carbonitrile4-Amino-2-oxo-1,2-dihydro-5-pyrimidinecarbonitrile5-Pyrimidinecarbonitrile, 4-amino-1,2-dihydro-2-oxo- (9CI)MFCD098639194-Amino-2-oxo-1,2-dihydro-pyrimidine-5-carbonitrile
Show more names
5-Pyrimidinecarbonitrile, 6-amino-1,2-dihydro-2-oxo-F1918-00736-amino-2-oxo-3-hydropyrimidine-5-carbonitrile5-cyanocytosineSCHEMBL3825045KFDKBQHGALFUAJ-UHFFFAOYSA-NSMSSF-0044419MFCD00767571
Database identifiers
- CAS
16462-28-5- PubChem CID
- 910101
- DTXSID
DTXSID90358683
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 270 °C · 270 °C (decomp)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 6.95 · 6.95±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers17 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
上海晟铱生物科技有限公司021-58957915 17721108391 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
中山市聚科美生物科技有限公司13642727863 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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