Basic information
- CAS
53399-18-1- Standard SMILES
Cc1cc(=O)n(-c2ccccc2)cn1- InChIKey
CUYJZXCENPLDLI-UHFFFAOYSA-N- Molecular formula
- C11H10N2O
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.07931295
Names & identifiers
- Preferred name
- 6-Methyl-3-phenylpyrimidin-4(3h)-one
- IUPAC
- 6-methyl-3-phenylpyrimidin-4-one
Names & synonyms
6-methyl-3-phenylpyrimidin-4(3h)-one53399-18-1NSC157599DTXSID40303264NSC-157599
Database identifiers
- CAS
53399-18-1- PubChem CID
- 291997
- DTXSID
DTXSID40303264
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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