ChemSpider 2D Image | 1-[3,5-Bis(trifluoromethyl)phenyl]-3-{[4-(dimethylamino)-6-methyl-2-pyrimidinyl]methyl}urea | C17H17F6N5O

1-[3,5-Bis(trifluoromethyl)phenyl]-3-{[4-(dimethylamino)-6-methyl-2-pyrimidinyl]methyl}urea

  • Molecular FormulaC17H17F6N5O
  • Average mass421.340 Da
  • Monoisotopic mass421.133728 Da
  • ChemSpider ID58305965

More details:

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

1-[3,5-Bis(trifluormethyl)phenyl]-3-{[4-(dimethylamino)-6-methyl-2-pyrimidinyl]methyl}harnstoff [German] [ACD/IUPAC Name]
1-[3,5-Bis(trifluoromethyl)phenyl]-3-{[4-(dimethylamino)-6-methyl-2-pyrimidinyl]methyl}urea [ACD/IUPAC Name]
1-[3,5-Bis(trifluorométhyl)phényl]-3-{[4-(diméthylamino)-6-méthyl-2-pyrimidinyl]méthyl}urée [French] [ACD/IUPAC Name]
Urea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]methyl]- [ACD/Index Name]
1-(3,5-bis(trifluoromethyl)phenyl)-3-((4-(dimethylamino)-6-methylpyrimidin-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: 420.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 208.1±28.7 °C
Index of Refraction: 1.539
Molar Refractivity: 93.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 345.75
ACD/KOC (pH 5.5): 1124.17
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3558.76
ACD/KOC (pH 7.4): 11570.80
Polar Surface Area: 70 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 299.8±3.0 cm3

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