ChemSpider 2D Image | 1-[1-(2,5-Difluorobenzyl)-4-methyl-1H-pyrazol-5-yl]-3-[4-(dimethylamino)-6-methoxy-5-pyrimidinyl]urea | C19H21F2N7O2

1-[1-(2,5-Difluorobenzyl)-4-methyl-1H-pyrazol-5-yl]-3-[4-(dimethylamino)-6-methoxy-5-pyrimidinyl]urea

  • Molecular FormulaC19H21F2N7O2
  • Average mass417.413 Da
  • Monoisotopic mass417.172485 Da
  • ChemSpider ID65042243

More details:

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

1-[1-(2,5-Difluorbenzyl)-4-methyl-1H-pyrazol-5-yl]-3-[4-(dimethylamino)-6-methoxy-5-pyrimidinyl]harnstoff [German] [ACD/IUPAC Name]
1-[1-(2,5-Difluorobenzyl)-4-methyl-1H-pyrazol-5-yl]-3-[4-(dimethylamino)-6-methoxy-5-pyrimidinyl]urea [ACD/IUPAC Name]
1-[1-(2,5-Difluorobenzyl)-4-méthyl-1H-pyrazol-5-yl]-3-[4-(diméthylamino)-6-méthoxy-5-pyrimidinyl]urée [French] [ACD/IUPAC Name]
Urea, N-[1-[(2,5-difluorophenyl)methyl]-4-methyl-1H-pyrazol-5-yl]-N'-[4-(dimethylamino)-6-methoxy-5-pyrimidinyl]- [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: 496.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 254.1±28.7 °C
Index of Refraction: 1.621
Molar Refractivity: 106.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 177.18
ACD/KOC (pH 5.5): 1407.97
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 180.56
ACD/KOC (pH 7.4): 1434.78
Polar Surface Area: 97 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 304.0±7.0 cm3

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