Basic information
- Standard SMILES
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cncnc2)c1- InChIKey
NXXIFULQOMQUKM-UHFFFAOYSA-N- Molecular formula
- C16H12F3N5
- Average molar mass
- 331.29 g/mol
- Monoisotopic mass
- 331.10447989
Names & identifiers
- Preferred name
- N-(3-methyl-5-pyrimidin-5-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
- IUPAC
- N-(3-methyl-5-pyrimidin-5-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
Names & synonyms
N-(3-methyl-5-pyrimidin-5-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amineSCHEMBL16812141
Database identifiers
- PubChem CID
- 72709447
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
Related reactions
1 records
Compound notes
Loading…