ChemSpider 2D Image | N-Methyl-6-(6-methyl-1-{[1-methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-5-isoquinolinyl)-2-quinazolinamine | C27H29N7

N-Methyl-6-(6-methyl-1-{[1-methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-5-isoquinolinyl)-2-quinazolinamine

  • Molecular FormulaC27H29N7
  • Average mass451.566 Da
  • Monoisotopic mass451.248444 Da
  • ChemSpider ID24633374

More details:

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

2-Quinazolinamine, 6-[1-[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]-6-methyl-5-isoquinolinyl]-N-methyl- [ACD/Index Name]
N-Methyl-6-(6-methyl-1-{[1-methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-5-isochinolinyl)-2-chinazolinamin [German] [ACD/IUPAC Name]
N-Méthyl-6-(6-méthyl-1-{[1-méthyl-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]amino}-5-isoquinoléinyl)-2-quinazolinamine [French] [ACD/IUPAC Name]
N-Methyl-6-(6-methyl-1-{[1-methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-5-isoquinolinyl)-2-quinazolinamine [ACD/IUPAC Name]
aminoquinazoline, 19

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

Density: 1.2±0.1 g/cm3
Boiling Point: 623.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.6±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 135.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1081.12
ACD/KOC (pH 5.5): 2506.18
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12556.70
ACD/KOC (pH 7.4): 29108.05
Polar Surface Area: 81 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 363.4±7.0 cm3

Click to predict properties on the Chemicalize site


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