Basic information
- Standard SMILES
Cc1nc(-c2ccccc2C(F)(F)F)nc(N)c1[N+](=O)[O-]- InChIKey
SDBJUKNKELYZTD-UHFFFAOYSA-N- Molecular formula
- C12H9F3N4O2
- Average molar mass
- 298.22 g/mol
Names & identifiers
- Preferred name
- 6-Methyl-5-nitro-2-(2-trifluoromethyl-phenyl)-pyrimidin-4-ylamine
- IUPAC
- 6-methyl-5-nitro-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
Names & synonyms
6-methyl-5-nitro-2-(2-trifluoromethyl-phenyl)-pyrimidin-4-ylamineSCHEMBL2442498
Database identifiers
- PubChem CID
- 67409775
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
Related reactions
6 records
Compound notes
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