Basic information
- Standard SMILES
Cn1cc(Cc2cncnc2)c(=O)nc1CCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1- InChIKey
SIHYEQPEJJLQSY-UHFFFAOYSA-N- Molecular formula
- C25H20ClF3N4O2
- Average molar mass
- 500.9 g/mol
Names & identifiers
- Preferred name
- 2-[2-(4-{[4-Chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)ethyl]-1-methyl-5-(5-pyrimidinylmethyl)-4(1H)-pyrimidinone
- IUPAC
- 2-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethyl]-1-methyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one
Names & synonyms
2-[2-(4-{[4-Chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)ethyl]-1-methyl-5-(5-pyrimidinylmethyl)-4(1H)-pyrimidinoneSCHEMBL9107649SIHYEQPEJJLQSY-UHFFFAOYSA-NSIHYEQPEJJLQSY-UHFFFAOYSA-O
Database identifiers
- PubChem CID
- 67775706
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 792
Related reactions
2 records
Compound notes
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