6-Amino-4-(hydroxymethyl)pyrimidin-2(1H)-one
Basic information
- CAS
34387-05-8- Standard SMILES
Nc1cc(CO)nc(=O)[nH]1- InChIKey
GTHNAVHCXGMVGU-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2
- Average molar mass
- 141.13 g/mol
Names & identifiers
- Preferred name
- 6-Amino-4-(hydroxymethyl)pyrimidin-2(1H)-one
- IUPAC
- 4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one
- English name
- 2(1H)-Pyrimidinone, 4-amino-6-(hydroxymethyl)- (9CI)
- Molecular formula
- C5H7N3O2
- Molecular weight
- 141.13
Names & synonyms
34387-05-86-Amino-4-(hydroxymethyl)pyrimidin-2(1H)-one4-amino-6-hydroxymethyl-1H-pyrimidin-2-one4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-oneDB-2689352(1H)-PYRIMIDINONE, 4-AMINO-6-(HYDROXYMETHYL)-6-Amino-4-(hydroxymethyl)-2(1H)-pyrimidinone4-amino-6-(hydroxymethyl)pyrimidin-2(1H)-one2(1H)-PyriMidinone,6-aMino-4-(hydroxyMethyl)-2(1H)-Pyrimidinone, 4-amino-6-(hydroxymethyl)- (9CI)
Database identifiers
- CAS
34387-05-8
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Density
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- pka
- 11.6 · 11.60±0.10(Predicted)
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Compound notes
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