4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
Basic information
- CAS
339105-15-6- Standard SMILES
CN(C)c1nc(N2CCN(c3ccc(F)cc3)CC2)cc(C(F)(F)F)n1- InChIKey
FAJRAZPAPWLECA-UHFFFAOYSA-N- Molecular formula
- C17H19F4N5
- Average molar mass
- 369.4 g/mol
Names & identifiers
- Preferred name
- 4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
- IUPAC
- 4-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
- English name
- 4-[4-(4-Fluorophenyl)piperazino]-N,N-dimethyl-6-(trifluoromethyl)-2-pyrimidinamine
- Molecular formula
- C17H19F4N5
- Molecular weight
- 369.36
Names & synonyms
339105-15-64-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine4-(4-(4-Fluorophenyl)piperazin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amineBionet1_000821SCHEMBL23657835HMS570F03AKOS0051047279G-382SCCG-2759814-[4-(4-fluorophenyl)piperazino]-N,N-dimethyl-6-(trifluoromethyl)-2-pyrimidinamine2-Pyrimidinamine, 4-[4-(4-fluorophenyl)-1-piperazinyl]-N,N-dimethyl-6-(trifluoromethyl)-N-[4-[4-(4-FLUOROPHENYL)PIPERAZINO]-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-N,N-DIMETHYLAMINE
Database identifiers
- CAS
339105-15-6
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Boiling point
- 495 · 495.0±55.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- pka
- 5.53 · 5.53±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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