ChemSpider 2D Image | 6-{[3-(5-Amino-4-cyano-1H-pyrazol-3-yl)propyl](methyl)amino}-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile | C15H18N8O2

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

  • Molecular FormulaC15H18N8O2
  • Average mass342.356 Da
  • Monoisotopic mass342.155273 Da
  • ChemSpider ID22101745

More details:

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

5-Pyrimidinecarbonitrile, 6-[[3-(5-amino-4-cyano-1H-pyrazol-3-yl)propyl]methylamino]-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo- [ACD/Index Name]
6-{[3-(5-Amino-4-cyan-1H-pyrazol-3-yl)propyl](methyl)amino}-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
6-{[3-(5-Amino-4-cyano-1H-pyrazol-3-yl)propyl](methyl)amino}-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
6-{[3-(5-Amino-4-cyano-1H-pyrazol-3-yl)propyl](méthyl)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: 654.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 349.9±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 86.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 42.71
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 42.71
Polar Surface Area: 146 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 88.4±5.0 dyne/cm
Molar Volume: 236.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement