Basic information
- Standard SMILES
FC(F)C(F)(F)Oc1cccc(Nc2nccc(-c3ccncc3)n2)c1- InChIKey
RUZDLQFYMAFCOE-UHFFFAOYSA-N- Molecular formula
- C17H12F4N4O
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 364.09472367
Names & identifiers
- Preferred name
- (4-Pyridin-4-yl-pyrimidin-2-yl)-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-amine
- IUPAC
- 4-pyridin-4-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-2-amine
Names & synonyms
CHEMBL55662(4-Pyridin-4-yl-pyrimidin-2-yl)-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-amineSCHEMBL1269BDBM50290420N-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-4(4-pyridyl)-2-pyrimidineamineN-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4-(4-pyridyl)-2-pyrimidine-amine
Database identifiers
- PubChem CID
- 9799152
- ChEMBL
CHEMBL55662- Nikkaji
- J764.285G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 437
Related reactions
4 records
Compound notes
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