Basic information
- Standard SMILES
Cc1cc(-c2cc(=O)n(C)cn2)cc(C)c1N- InChIKey
TYEBWDBWZLIKLE-UHFFFAOYSA-N- Molecular formula
- C13H15N3O
- Average molar mass
- 229.28 g/mol
- Monoisotopic mass
- 229.12151211
Names & identifiers
- Preferred name
- 6-(4-Amino-3,5-dimethylphenyl)-3-methylpyrimidin-4(3H)-one
- IUPAC
- 6-(4-amino-3,5-dimethylphenyl)-3-methylpyrimidin-4-one
Names & synonyms
SCHEMBL15262765TYEBWDBWZLIKLE-UHFFFAOYSA-NDB-1401646-(4-Amino-3,5-dimethylphenyl)-3-methyl-4(3h)-pyrimidinone6-(4-Amino-3,5-dimethylphenyl)-3-methylpyrimidin-4(3H)-one1458655-42-9
Database identifiers
- PubChem CID
- 86697249
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 363
Related reactions
1 records
Compound notes
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