ChemSpider 2D Image | 6-({3-[5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl}amino)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile | C20H19FN8O2

6-({3-[5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl}amino)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile

  • Molecular FormulaC20H19FN8O2
  • Average mass422.416 Da
  • Monoisotopic mass422.161499 Da
  • ChemSpider ID31755700

More details:

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

5-Pyrimidinecarbonitrile, 6-[[3-[5-amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl]amino]-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo- [ACD/Index Name]
6-({3-[5-Amino-4-cyan-1-(4-fluorphenyl)-1H-pyrazol-3-yl]propyl}amino)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
6-({3-[5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl}amino)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
6-({3-[5-Amino-4-cyano-1-(4-fluorophényl)-1H-pyrazol-3-yl]propyl}amino)-1,3-diméthyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinecarbonitrile [French] [ACD/IUPAC 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: 665.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.4±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.66
ACD/KOC (pH 5.5): 88.16
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.66
ACD/KOC (pH 7.4): 88.16
Polar Surface Area: 144 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 296.6±7.0 cm3

Click to predict properties on the Chemicalize site


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