ChemSpider 2D Image | 5-((6-(Methyl(tetrahydro-2H-pyran-3-yl)amino)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile | C15H17N7O

5-((6-(Methyl(tetrahydro-2H-pyran-3-yl)amino)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile

  • Molecular FormulaC15H17N7O
  • Average mass311.342 Da
  • Monoisotopic mass311.149445 Da
  • ChemSpider ID30776151

More details:

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

1137475-44-5 [RN]
2-Pyrazinecarbonitrile, 5-[[6-[methyl(tetrahydro-2H-pyran-3-yl)amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
5-((6-(Methyl(tetrahydro-2H-pyran-3-yl)amino)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile
5-({6-[Methyl(tetrahydro-2H-pyran-3-yl)amino]-4-pyrimidinyl}amino)-2-pyrazincarbonitril [German] [ACD/IUPAC Name]
5-({6-[Methyl(tetrahydro-2H-pyran-3-yl)amino]-4-pyrimidinyl}amino)-2-pyrazinecarbonitrile [ACD/IUPAC Name]
5-({6-[Méthyl(tétrahydro-2H-pyran-3-yl)amino]-4-pyrimidinyl}amino)-2-pyrazinecarbonitrile [French] [ACD/IUPAC Name]
5-({6-[METHYL(OXAN-3-YL)AMINO]PYRIMIDIN-4-YL}AMINO)PYRAZINE-2-CARBONITRILE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 550.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.6±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 82.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 11.94
ACD/KOC (pH 5.5): 180.15
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.77
ACD/KOC (pH 7.4): 283.28
Polar Surface Area: 100 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 79.1±5.0 dyne/cm
Molar Volume: 231.2±5.0 cm3

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