ChemSpider 2D Image | 1-{4-[(6-Isopropoxy-2-methyl-4-pyrimidinyl)amino]phenyl}-3-[2-(trifluoromethyl)phenyl]urea | C22H22F3N5O2

1-{4-[(6-Isopropoxy-2-methyl-4-pyrimidinyl)amino]phenyl}-3-[2-(trifluoromethyl)phenyl]urea

  • Molecular FormulaC22H22F3N5O2
  • Average mass445.438 Da
  • Monoisotopic mass445.172546 Da
  • ChemSpider ID21928706

More details:

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

1-{4-[(6-Isopropoxy-2-methyl-4-pyrimidinyl)amino]phenyl}-3-[2-(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-{4-[(6-Isopropoxy-2-methyl-4-pyrimidinyl)amino]phenyl}-3-[2-(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-{4-[(6-Isopropoxy-2-méthyl-4-pyrimidinyl)amino]phényl}-3-[2-(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[4-[[2-methyl-6-(1-methylethoxy)-4-pyrimidinyl]amino]phenyl]-N'-[2-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-(4-((6-isopropoxy-2-methylpyrimidin-4-yl)amino)phenyl)-3-(2-(trifluoromethyl)phenyl)urea
1-(4-{[2-methyl-6-(propan-2-yloxy)pyrimidin-4-yl]amino}phenyl)-3-[2-(trifluoromethyl)phenyl]urea
1021060-02-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 484.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 246.7±28.7 °C
Index of Refraction: 1.624
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 3373.71
ACD/KOC (pH 5.5): 8667.32
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9384.21
ACD/KOC (pH 7.4): 24108.77
Polar Surface Area: 88 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 329.5±3.0 cm3

Click to predict properties on the Chemicalize site


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