Basic information
- Standard SMILES
Oc1ccc(CCc2cnc(Nc3ccc(OC(F)F)cc3)nc2)cc1- InChIKey
LUNHOTQFXXVHBO-UHFFFAOYSA-N- Molecular formula
- C19H17F2N3O2
- Average molar mass
- 357.4 g/mol
Names & identifiers
- Preferred name
- 4-(2-(2-((4-(Difluoromethoxy)phenyl)amino)pyrimidin-5-yl)ethyl)phenol
- IUPAC
- 4-[2-[2-[4-(difluoromethoxy)anilino]pyrimidin-5-yl]ethyl]phenol
Names & synonyms
4-(2-(2-((4-(difluoromethoxy)phenyl)amino)pyrimidin-5-yl)ethyl)phenolSCHEMBL14800409
Database identifiers
- PubChem CID
- 86679784
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 392
Related reactions
1 records
Compound notes
Loading…