Basic information
- Standard SMILES
CN(CCCNc1ncc(Cc2ccc(Cl)cc2)c(=O)[nH]1)c1ccccn1- InChIKey
ZBFZWNHOVQZZEQ-UHFFFAOYSA-N- Molecular formula
- C20H22ClN5O
- Average molar mass
- 383.9 g/mol
- Monoisotopic mass
- 383.151288
Names & identifiers
- Preferred name
- 2-[3-(N-methyl-N-pyrid-2-ylamino) propylamino]-5-(4-chlorobenzyl)pyrimid-4-one
- IUPAC
- 5-[(4-chlorophenyl)methyl]-2-[3-[methyl(pyridin-2-yl)amino]propylamino]-1H-pyrimidin-6-one
Names & synonyms
SCHEMBL10655896ZBFZWNHOVQZZEQ-UHFFFAOYSA-N2-[3-(N-methyl-N-pyrid-2-ylamino) propylamino]-5-(4-chlorobenzyl)pyrimid-4-one
Database identifiers
- PubChem CID
- 54538157
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 557
Related reactions
1 records
Compound notes
Loading…