ChemSpider 2D Image | 3-{5-[9-(2-Methoxyethyl)-9H-purin-6-yl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}-2-pyrazinecarbonitrile | C19H21N9O

3-{5-[9-(2-Methoxyethyl)-9H-purin-6-yl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}-2-pyrazinecarbonitrile

  • Molecular FormulaC19H21N9O
  • Average mass391.430 Da
  • Monoisotopic mass391.186920 Da
  • ChemSpider ID103706069

More details:

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

2-Pyrazinecarbonitrile, 3-[hexahydro-5-[9-(2-methoxyethyl)-9H-purin-6-yl]pyrrolo[3,4-c]pyrrol-2(1H)-yl]- [ACD/Index Name]
3-{5-[9-(2-Methoxyethyl)-9H-purin-6-yl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}-2-pyrazincarbonitril [German] [ACD/IUPAC Name]
3-{5-[9-(2-Methoxyethyl)-9H-purin-6-yl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}-2-pyrazinecarbonitrile [ACD/IUPAC Name]
3-{5-[9-(2-Méthoxyéthyl)-9H-purin-6-yl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}-2-pyrazinecarbonitrile [French] [ACD/IUPAC Name]
2640949-57-9 [RN]
3-{5-[9-(2-methoxyethyl)-9H-purin-6-yl]-octahydropyrrolo[3,4-c]pyrrol-2-yl}pyrazine-2-carbonitrile

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

Density: 1.5±0.1 g/cm3
Boiling Point: 661.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.7±34.3 °C
Index of Refraction: 1.790
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.19
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.17
ACD/KOC (pH 7.4): 103.42
Polar Surface Area: 109 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 69.7±7.0 dyne/cm
Molar Volume: 254.0±7.0 cm3

Click to predict properties on the Chemicalize site


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