Basic information
- Standard SMILES
COc1ccc(Cl)c(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1- InChIKey
IQDUNQUQCWGICF-UHFFFAOYSA-N- Molecular formula
- C17H12ClF3N4O
- Average molar mass
- 380.7 g/mol
- Monoisotopic mass
- 380.0651732
Names & identifiers
- Preferred name
- 4-(2-Chloro-5-methoxyanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
- IUPAC
- N-(2-chloro-5-methoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
Names & synonyms
4-(2-Chloro-5-methoxyanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidineCHEMBL511817SCHEMBL5481548
Database identifiers
- PubChem CID
- 10110345
- ChEMBL
CHEMBL511817
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 450
Related reactions
3 records
Compound notes
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