Basic information
- CAS
1199-54-8- Standard SMILES
CC(C)c1nc(O)c(Cl)c(=O)[nH]1- InChIKey
PGSGGZMWYMOBTR-UHFFFAOYSA-N- Molecular formula
- C7H9ClN2O2
- Average molar mass
- 188.61 g/mol
- Monoisotopic mass
- 188.0352552
Names & identifiers
- Preferred name
- 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one
- IUPAC
- 5-chloro-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
Names & synonyms
1199-54-85-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-oneNSC66918SCHEMBL11739755SCHEMBL26647459DTXSID309231374(3H)-Pyrimidinone,5-chloro-6-hydroxy-2-(1-methylethyl)-NSC-66918DS-0145245-Chloro-2-(propan-2-yl)pyrimidine-4,6-diol
Database identifiers
- CAS
1199-54-8- PubChem CID
- 249016
- DTXSID
DTXSID30923137
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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