Basic information
- Standard SMILES
c1ccc(COc2ccc(Nc3ncnc4ncccc34)cc2)cc1- InChIKey
MJQAMWVEPJHQQZ-UHFFFAOYSA-N- Molecular formula
- C20H16N4O
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.13241115
Names & identifiers
- Preferred name
- 4-(4-Benzyloxyanilino)pyrido[2,3-d]pyrimidine
- IUPAC
- N-(4-phenylmethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL810421MJQAMWVEPJHQQZ-UHFFFAOYSA-N4-(4-Benzyloxyanilino)pyrido[2,3-d]pyrimidine
Database identifiers
- PubChem CID
- 22112893
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 393
Related reactions
2 records
Compound notes
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