Basic information
- Standard SMILES
Nc1cc(N)[nH]c(=O)n1- InChIKey
OKSVBJJXPDBPKN-UHFFFAOYSA-N- Molecular formula
- C4H6N4O
- Average molar mass
- 126.12 g/mol
- Monoisotopic mass
- 126.05416081
Names & identifiers
- Preferred name
- 4,6-Diaminopyrimidin-2(1H)-one
- IUPAC
- 4,6-diamino-1H-pyrimidin-2-one
- English name
- 4,6-Diamino-2-pyrimidinol
- Molecular formula
- C4H6N4O
- Molecular weight
- 126.12
Names & synonyms
31458-45-44,6-Diamino-2-hydroxypyrimidine4,6-Diamino-2-pyrimidinol4,6-diaminopyrimidin-2(1H)-oneNSC-605314D5GB4JX52DTXSID80289371RefChem:1069486DTXCID702405174,6-diamino-1H-pyrimidin-2-one4,6-diaminopyrimidin-2-ol6-aminocytosine
Show more names
2-hydroxy-4,6-diaminopyrimidine2(1H)-Pyrimidinone, 4,6-diamino- (7CI,9CI)4,6-Diamino-2-pyrimidinol ISO 9001：2015 REACH
2(1H)-Pyrimidinone, 4,6-diamino-2-Pyrimidinol, 4,6-diamino-pyrimidine, 4,6-diamino-2-hydroxy-4,6-Diamino-2(1H)-Pyrimidinonediamino pyrimidinoneNSC60531diaminohydroxypyrimidine2-Pyrimidinol,6-diamino-
Database identifiers
- CAS
31458-45-4- PubChem CID
- 246910
- DTXSID
DTXSID80289371- UNII
- 4D5GB4JX52
- Nikkaji
- J231.932B
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 300 °C · 300 °C
- Density
- 1.84 · 1.84±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 12.07 · 12.07±0.10(Predicted)
- CAS DataBase Reference
- 31458 · 31458-45-4(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
Safety & regulation
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers36 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
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Related reactions
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