ChemSpider 2D Image | N~6~-Isobutyl-2-(3-methylphenyl)-4-(2-thienyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine | C20H22N6S

N6-Isobutyl-2-(3-methylphenyl)-4-(2-thienyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

  • Molecular FormulaC20H22N6S
  • Average mass378.494 Da
  • Monoisotopic mass378.162659 Da
  • ChemSpider ID22619254

More details:

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

2H-Pyrazolo[3,4-d]pyrimidine-3,6-diamine, 2-(3-methylphenyl)-N6-(2-methylpropyl)-4-(2-thienyl)- [ACD/Index Name]
N6-Isobutyl-2-(3-methylphenyl)-4-(2-thienyl)-2H-pyrazolo[3,4-d]pyrimidin-3,6-diamin [German] [ACD/IUPAC Name]
N6-Isobutyl-2-(3-methylphenyl)-4-(2-thienyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine [ACD/IUPAC Name]
N6-Isobutyl-2-(3-méthylphényl)-4-(2-thiényl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine [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: 520.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.5±32.9 °C
Index of Refraction: 1.718
Molar Refractivity: 109.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 224.48
ACD/KOC (pH 5.5): 1208.55
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 692.08
ACD/KOC (pH 7.4): 3725.98
Polar Surface Area: 110 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 278.7±7.0 cm3

Click to predict properties on the Chemicalize site


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