4-(Difluoromethyl)-2-phenylpyrimidine-5-carboxamide
Basic information
- CAS
1713713-45-1- Standard SMILES
NC(=O)c1cnc(-c2ccccc2)nc1C(F)F- InChIKey
PJQIICCVZKHBLM-UHFFFAOYSA-N- Molecular formula
- C12H9F2N3O
- Average molar mass
- 249.22 g/mol
- Monoisotopic mass
- 249.07136824
Names & identifiers
- Preferred name
- 4-(Difluoromethyl)-2-phenylpyrimidine-5-carboxamide
- IUPAC
- 4-(difluoromethyl)-2-phenylpyrimidine-5-carboxamide
Names & synonyms
4-(Difluoromethyl)-2-phenylpyrimidine-5-carboxamide1713713-45-14-Difluoromethyl-2-phenyl-pyrimidine-5-carboxylic acid amideDTXSID801215379SB857955-Pyrimidinecarboxamide, 4-(difluoromethyl)-2-phenyl-
Database identifiers
- CAS
1713713-45-1- PubChem CID
- 97627652
- DTXSID
DTXSID801215379
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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