1-Amino-5-benzoyl-4-phenylpyrimidin-2(1H)-one
Basic information
- CAS
127143-61-7- Standard SMILES
Nn1cc(C(=O)c2ccccc2)c(-c2ccccc2)nc1=O- InChIKey
OKPQOISXQLDJCF-UHFFFAOYSA-N- Molecular formula
- C17H13N3O2
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.10077667
Names & identifiers
- Preferred name
- 1-Amino-5-benzoyl-4-phenylpyrimidin-2(1H)-one
- IUPAC
- 1-amino-5-benzoyl-4-phenylpyrimidin-2-one
Names & synonyms
127143-61-71-Amino-5-benzoyl-4-phenylpyrimidin-2(1H)-oneDTXSID90560709RefChem:227539DTXCID80511487SCHEMBL10816411-amino-5-benzoyl-4-phenyl-1h-pyrimidine-2-one
Database identifiers
- CAS
127143-61-7- PubChem CID
- 14472001
- DTXSID
DTXSID90560709- Nikkaji
- J1.509.818J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 512
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Compound notes
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