ChemSpider 2D Image | 5-{[2,6-Dimethyl-5-(4-methylbenzyl)-4-pyrimidinyl]amino}-1-(8-methoxy-4-methyl-2-quinolinyl)-1H-pyrazole-4-carbonitrile | C29H27N7O

5-{[2,6-Dimethyl-5-(4-methylbenzyl)-4-pyrimidinyl]amino}-1-(8-methoxy-4-methyl-2-quinolinyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC29H27N7O
  • Average mass489.571 Da
  • Monoisotopic mass489.227722 Da
  • ChemSpider ID34737039

More details:

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

1H-Pyrazole-4-carbonitrile, 5-[[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]amino]-1-(8-methoxy-4-methyl-2-quinolinyl)- [ACD/Index Name]
5-{[2,6-Dimethyl-5-(4-methylbenzyl)-4-pyrimidinyl]amino}-1-(8-methoxy-4-methyl-2-chinolinyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-{[2,6-Diméthyl-5-(4-méthylbenzyl)-4-pyrimidinyl]amino}-1-(8-méthoxy-4-méthyl-2-quinoléinyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-{[2,6-Dimethyl-5-(4-methylbenzyl)-4-pyrimidinyl]amino}-1-(8-methoxy-4-methyl-2-quinolinyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 695.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.2±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 145.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.02
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 2267.49
ACD/KOC (pH 5.5): 5139.75
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 13925.07
ACD/KOC (pH 7.4): 31564.15
Polar Surface Area: 102 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 389.5±7.0 cm3

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