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

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

  • Molecular FormulaC17H17F6N5O
  • Average mass421.340 Da
  • Monoisotopic mass421.133728 Da
  • ChemSpider ID58306013

More details:

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

1-[3,5-Bis(trifluormethyl)phenyl]-3-{[2-(dimethylamino)-6-methyl-4-pyrimidinyl]methyl}harnstoff [German] [ACD/IUPAC Name]
1-[3,5-Bis(trifluoromethyl)phenyl]-3-{[2-(dimethylamino)-6-methyl-4-pyrimidinyl]methyl}urea [ACD/IUPAC Name]
1-[3,5-Bis(trifluorométhyl)phényl]-3-{[2-(diméthylamino)-6-méthyl-4-pyrimidinyl]méthyl}urée [French] [ACD/IUPAC Name]
Urea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[[2-(dimethylamino)-6-methyl-4-pyrimidinyl]methyl]- [ACD/Index Name]
1-(3,5-bis(trifluoromethyl)phenyl)-3-((2-(dimethylamino)-6-methylpyrimidin-4-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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: 5.18
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 3946.25
ACD/KOC (pH 5.5): 12688.09
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4353.40
ACD/KOC (pH 7.4): 13997.19
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

Click to predict properties on the Chemicalize site


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