2(1H)-Pyrimidinone,5-acetyl-4-(5-chloro-2-hydroxyphenyl)-3,4-dihydro-6-methyl-(9CI)
Basic information
- CAS
349493-14-7- Standard SMILES
CC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)ccc1O- InChIKey
KCGXZIRVWKAVFC-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2O3
- Average molar mass
- 280.7 g/mol
Names & identifiers
- Preferred name
- 2(1H)-Pyrimidinone,5-acetyl-4-(5-chloro-2-hydroxyphenyl)-3,4-dihydro-6-methyl-(9CI)
- IUPAC
- 5-acetyl-4-(5-chloro-2-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
- English name
- 2(1H)-Pyrimidinone,5-acetyl-4-(5-chloro-2-hydroxyphenyl)-3,4-dihydro-6-methyl-(9CI)
- Molecular formula
- C13H13ClN2O3
- Molecular weight
- 280.70692
Names & synonyms
349493-14-72(1H)-Pyrimidinone,5-acetyl-4-(5-chloro-2-hydroxyphenyl)-3,4-dihydro-6-methyl-(9CI)DB-2804862(1H)-PYRIMIDINONE, 5-ACETYL-4-(5-CHLORO-2-HYDROXYPHENYL)-3,4-DIHYDRO-6-METHYL-
Database identifiers
- CAS
349493-14-7
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 436
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Compound notes
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