ChemSpider 2D Image | 1-[3,5-Bis(trifluoromethyl)phenyl]-3-{[4-(dimethylamino)-2-pyrimidinyl]methyl}urea | C16H15F6N5O

1-[3,5-Bis(trifluoromethyl)phenyl]-3-{[4-(dimethylamino)-2-pyrimidinyl]methyl}urea

  • Molecular FormulaC16H15F6N5O
  • Average mass407.314 Da
  • Monoisotopic mass407.118073 Da
  • ChemSpider ID58301241

More details:

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

1-[3,5-Bis(trifluormethyl)phenyl]-3-{[4-(dimethylamino)-2-pyrimidinyl]methyl}harnstoff [German] [ACD/IUPAC Name]
1-[3,5-Bis(trifluoromethyl)phenyl]-3-{[4-(dimethylamino)-2-pyrimidinyl]methyl}urea [ACD/IUPAC Name]
1-[3,5-Bis(trifluorométhyl)phényl]-3-{[4-(diméthylamino)-2-pyrimidinyl]méthyl}urée [French] [ACD/IUPAC Name]
Urea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[[4-(dimethylamino)-2-pyrimidinyl]methyl]- [ACD/Index Name]
1-(3,5-bis(trifluoromethyl)phenyl)-3-((4-(dimethylamino)pyrimidin-2-yl)methyl)urea

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

Density: 1.4±0.1 g/cm3
Boiling Point: 399.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.1±27.9 °C
Index of Refraction: 1.541
Molar Refractivity: 89.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 671.50
ACD/KOC (pH 5.5): 2909.54
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1497.84
ACD/KOC (pH 7.4): 6489.97
Polar Surface Area: 70 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 283.5±3.0 cm3

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