Basic information
- Standard SMILES
CCOC(=O)c1cnc(-c2ccccc2)nc1Nc1ccccc1- InChIKey
CNZHSDPTVCLPRY-UHFFFAOYSA-N- Molecular formula
- C19H17N3O2
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylate
- IUPAC
- ethyl 4-anilino-2-phenylpyrimidine-5-carboxylate
Names & synonyms
CBMicro_018599Oprea1_185739Oprea1_840047SCHEMBL11160276CNZHSDPTVCLPRY-UHFFFAOYSA-NCCG-6618AKOS000554299BIM-0018772.P001ethyl 4-anilino-2-phenyl-5-pyrimidinecarboxylateSR-01000368730SR-01000368730-14-anilino-2-phenyl-5-pyrimidine carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 755251
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 392
Related reactions
6 records
Compound notes
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