Basic information
- Standard SMILES
Cc1ccc(Nc2cc(-c3cc(Cl)ccc3C)nc(N)n2)cc1- InChIKey
JJPDFGOXXBWGIW-UHFFFAOYSA-N- Molecular formula
- C18H17ClN4
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.1141743
Names & identifiers
- Preferred name
- 6-(5-Chloro-2-methyl-phenyl)-N*4*-p-tolyl-pyrimidine-2,4-diamine
- IUPAC
- 6-(5-chloro-2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL13880169JJPDFGOXXBWGIW-UHFFFAOYSA-N6-(5-Chloro-2-methyl-phenyl)-N*4*-p-tolyl-pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 11255810
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 372
Related reactions
1 records
Compound notes
Loading…