Basic information
- Standard SMILES
CCCN(CCCCNc1ncc(Cc2ccc(F)cc2)c(=O)[nH]1)c1ccccn1- InChIKey
AYDCHIJZVBAQTI-UHFFFAOYSA-N- Molecular formula
- C23H28FN5O
- Average molar mass
- 409.5 g/mol
Names & identifiers
- Preferred name
- 2-[4-(N-propyl-N-pyrid-2-ylamino)butylamino]5-(4-fluorobenzyl)pyrimid-4-one
- IUPAC
- 5-[(4-fluorophenyl)methyl]-2-[4-[propyl(pyridin-2-yl)amino]butylamino]-1H-pyrimidin-6-one
Names & synonyms
SCHEMBL10654761AYDCHIJZVBAQTI-UHFFFAOYSA-N2-[4-(N-propyl-N-pyrid-2-ylamino)butylamino]5-(4-fluorobenzyl)pyrimid-4-one
Database identifiers
- PubChem CID
- 53668296
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 600
Related reactions
2 records
Compound notes
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