Basic information
- Standard SMILES
O=c1ccnc(NCCCN(Cc2ccccc2)c2ccccn2)[nH]1- InChIKey
JKDUGEDGSNQIEV-UHFFFAOYSA-N- Molecular formula
- C19H21N5O
- Average molar mass
- 335.4 g/mol
Names & identifiers
- Preferred name
- 2-[3-[benzyl(pyridin-2-yl)amino]propylamino]-1H-pyrimidin-6-one
- IUPAC
- 2-[3-[benzyl(pyridin-2-yl)amino]propylamino]-1H-pyrimidin-6-one
Names & synonyms
SCHEMBL10752479
Database identifiers
- PubChem CID
- 20207367
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
Related reactions
1 records
Compound notes
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