Basic information
- Standard SMILES
Cc1ccc(Cc2cnc(NCCCNc3ncc(Cl)cc3Cl)[nH]c2=O)cn1- InChIKey
JXUJPGVCAOFELJ-UHFFFAOYSA-N- Molecular formula
- C19H20Cl2N6O
- Average molar mass
- 419.3 g/mol
Names & identifiers
- Preferred name
- 2-[3-(3,5-Dichloropyrid-2-ylamino)propylamino]-5-(6-methylpyrid-3-ylmethyl)-4-pyrimidone
- IUPAC
- 2-[3-[(3,5-dichloro-2-pyridinyl)amino]propylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one
Names & synonyms
SCHEMBL10736297JXUJPGVCAOFELJ-UHFFFAOYSA-N2-[3-(3,5-dichloropyrid-2-ylamino)propylamino]-5-(6-methylpyrid-3-ylmethyl)-4-pyrimidone
Database identifiers
- PubChem CID
- 14397385
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 599
Related reactions
3 records
Compound notes
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