ChemSpider 2D Image | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE | C28H29F3N6

4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE

  • Molecular FormulaC28H29F3N6
  • Average mass506.565 Da
  • Monoisotopic mass506.240570 Da
  • ChemSpider ID394736

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Pyrimidinamine, 4-[1-methyl-2-(4-piperidinyl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1S)-1-phenylethyl]- [ACD/Index Name]
4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE
4-{1-Methyl-2-(4-piperidinyl)-4-[3-(trifluormethyl)phenyl]-1H-imidazol-5-yl}-N-[(1S)-1-phenylethyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-{1-Methyl-2-(4-piperidinyl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl}-N-[(1S)-1-phenylethyl]-2-pyrimidinamine [ACD/IUPAC Name]
4-{1-Méthyl-2-(4-pipéridinyl)-4-[3-(trifluorométhyl)phényl]-1H-imidazol-5-yl}-N-[(1S)-1-phényléthyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
4-[3-methyl-2-(piperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL305178/
pyrimidine imidazole compound 1

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

084 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 671.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.0±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 137.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 9.94
ACD/KOC (pH 5.5): 24.00
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 48.03
ACD/KOC (pH 7.4): 115.95
Polar Surface Area: 68 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 386.8±7.0 cm3

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