ChemSpider 2D Image | 1-(2-Fluorophenyl)-3-[2-({2-methyl-6-[(4-methyl-2-pyridinyl)amino]-4-pyrimidinyl}amino)ethyl]urea | C20H22FN7O

1-(2-Fluorophenyl)-3-[2-({2-methyl-6-[(4-methyl-2-pyridinyl)amino]-4-pyrimidinyl}amino)ethyl]urea

  • Molecular FormulaC20H22FN7O
  • Average mass395.433 Da
  • Monoisotopic mass395.186981 Da
  • ChemSpider ID28721250

More details:

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

1-(2-Fluorophenyl)-3-[2-({2-methyl-6-[(4-methyl-2-pyridinyl)amino]-4-pyrimidinyl}amino)ethyl]urea [ACD/IUPAC Name]
1-(2-Fluorophényl)-3-[2-({2-méthyl-6-[(4-méthyl-2-pyridinyl)amino]-4-pyrimidinyl}amino)éthyl]urée [French] [ACD/IUPAC Name]
1-(2-Fluorphenyl)-3-[2-({2-methyl-6-[(4-methyl-2-pyridinyl)amino]-4-pyrimidinyl}amino)ethyl]harnstoff [German] [ACD/IUPAC Name]
Urea, N-(2-fluorophenyl)-N'-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]-4-pyrimidinyl]amino]ethyl]- [ACD/Index Name]
1-(2-fluorophenyl)-3-(2-((2-methyl-6-((4-methylpyridin-2-yl)amino)pyrimidin-4-yl)amino)ethyl)urea
1-(2-FLUOROPHENYL)-3-[2-({2-METHYL-6-[(4-METHYLPYRIDIN-2-YL)AMINO]PYRIMIDIN-4-YL}AMINO)ETHYL]UREA
1428349-41-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.2±30.1 °C
Index of Refraction: 1.680
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 34.47
ACD/KOC (pH 5.5): 225.27
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 319.74
ACD/KOC (pH 7.4): 2089.52
Polar Surface Area: 104 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 294.2±3.0 cm3

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