ChemSpider 2D Image | 4-[4-(9-Ethyl-9H-purin-6-yl)-1-piperazinyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidine | C17H20N10

4-[4-(9-Ethyl-9H-purin-6-yl)-1-piperazinyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC17H20N10
  • Average mass364.408 Da
  • Monoisotopic mass364.187256 Da
  • ChemSpider ID114878358

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine, 4-[4-(9-ethyl-9H-purin-6-yl)-1-piperazinyl]-1-methyl- [ACD/Index Name]
4-[4-(9-Ethyl-9H-purin-6-yl)-1-piperazinyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
4-[4-(9-Ethyl-9H-purin-6-yl)-1-piperazinyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
4-[4-(9-Éthyl-9H-purin-6-yl)-1-pipérazinyl]-1-méthyl-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
2640865-59-2 [RN]
4-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine
9-ethyl-6-(4-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-9H-purine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 631.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.7±34.3 °C
Index of Refraction: 1.824
Molar Refractivity: 101.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.21
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.98
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.55
ACD/KOC (pH 7.4): 94.96
Polar Surface Area: 94 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 70.8±7.0 dyne/cm
Molar Volume: 233.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement