ChemSpider 2D Image | N-{[5-(1,5-Dimethyl-1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethanamine | C17H19F3N6O

N-{[5-(1,5-Dimethyl-1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethanamine

  • Molecular FormulaC17H19F3N6O
  • Average mass380.368 Da
  • Monoisotopic mass380.157257 Da
  • ChemSpider ID29612144

More details:

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

2-Pyrimidineethanamine, N-[[5-(1,5-dimethyl-1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-6-(trifluoromethyl)- [ACD/Index Name]
N-{[5-(1,5-Dimethyl-1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-2-[4-methyl-6-(trifluormethyl)-2-pyrimidinyl]ethanamin [German] [ACD/IUPAC Name]
N-{[5-(1,5-Dimethyl-1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethanamine [ACD/IUPAC Name]
N-{[5-(1,5-Diméthyl-1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]méthyl}-2-[4-méthyl-6-(trifluorométhyl)-2-pyrimidinyl]éthanamine [French] [ACD/IUPAC Name]
N-{[5-(1,5-dimethyl-1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethanamine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 506.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.9±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.47
ACD/KOC (pH 5.5): 125.16
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.89
ACD/KOC (pH 7.4): 152.52
Polar Surface Area: 82 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 272.9±7.0 cm3

Click to predict properties on the Chemicalize site


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