Basic information
- Standard SMILES
CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(C)cc2)nc(N)n1- InChIKey
WHUUWMMYXNPCDE-UHFFFAOYSA-N- Molecular formula
- C19H19ClN4O
- Average molar mass
- 354.8 g/mol
Names & identifiers
- Preferred name
- 6-(5-Chloro-2-ethoxy-phenyl)-N*4*-p-tolyl-pyrimidine-2,4-diamine
- IUPAC
- 6-(5-chloro-2-ethoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL13880223WHUUWMMYXNPCDE-UHFFFAOYSA-N6-(5-Chloro-2-ethoxy-phenyl)-N*4*-p-tolyl-pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 11199047
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 405
Related reactions
1 records
Compound notes
Loading…