ChemSpider 2D Image | (2-Fluoro-5-methoxy-4-{[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino}phenyl)(3-methoxy-1-pyrrolidinyl)methanone | C19H21F4N5O3

(2-Fluoro-5-methoxy-4-{[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino}phenyl)(3-methoxy-1-pyrrolidinyl)methanone

  • Molecular FormulaC19H21F4N5O3
  • Average mass443.395 Da
  • Monoisotopic mass443.158051 Da
  • ChemSpider ID58894841

More details:

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

(2-Fluor-5-methoxy-4-{[4-(methylamino)-5-(trifluormethyl)-2-pyrimidinyl]amino}phenyl)(3-methoxy-1-pyrrolidinyl)methanon [German] [ACD/IUPAC Name]
(2-Fluoro-5-methoxy-4-{[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino}phenyl)(3-methoxy-1-pyrrolidinyl)methanone [ACD/IUPAC Name]
(2-Fluoro-5-méthoxy-4-{[4-(méthylamino)-5-(trifluorométhyl)-2-pyrimidinyl]amino}phényl)(3-méthoxy-1-pyrrolidinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [2-fluoro-5-methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]phenyl](3-methoxy-1-pyrrolidinyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 611.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.9±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.95
ACD/KOC (pH 5.5): 584.54
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 53.12
ACD/KOC (pH 7.4): 597.78
Polar Surface Area: 89 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 313.4±5.0 cm3

Click to predict properties on the Chemicalize site


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