2-(1-hydroxyethyl)pyrimidin-4(3H)-one
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Basic information
- CAS
299397-03-8- Standard SMILES
CC(O)c1nccc(=O)[nH]1- InChIKey
PSUSZVMSXODUAH-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2
- Average molar mass
- 140.14 g/mol
Names & identifiers
- Preferred name
- 2-(1-hydroxyethyl)pyrimidin-4(3H)-one
- IUPAC
- 2-(1-hydroxyethyl)-1H-pyrimidin-6-one
- English name
- 4(1H)-Pyrimidinone,2-(1-hydroxyethyl)-
- Molecular formula
- C6H8N2O2
- Molecular weight
- 140.14
Names & synonyms
2-(1-hydroxyethyl)pyrimidin-4(3H)-one299397-03-82-(1-Hydroxyethyl)pyrimidin-4-olSCHEMBL509054SCHEMBL29627962PSUSZVMSXODUAH-UHFFFAOYSA-NMFCD09263811SB56758SY4686162-(1-Hydroxy-ethyl)-3H-pyrimidin-4-oneDB-2915894(1H)-Pyrimidinone,2-(1-hydroxyethyl)-
Show more names
4(3H)-Pyrimidinone, 2-(1-hydroxyethyl)-4(1H)-Pyrimidinone, 2-(1-hydroxyethyl)- (9CI)
Database identifiers
- CAS
299397-03-8- Nikkaji
- J1.728.282D
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 8.99 · 8.99±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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