ChemSpider 2D Image | 5-((6-((3-Methoxypropyl)amino)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile | C13H15N7O

5-((6-((3-Methoxypropyl)amino)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile

  • Molecular FormulaC13H15N7O
  • Average mass285.305 Da
  • Monoisotopic mass285.133820 Da
  • ChemSpider ID30776141

More details:

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

1137475-40-1 [RN]
2-Pyrazinecarbonitrile, 5-[[6-[(3-methoxypropyl)amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
5-((6-((3-Methoxypropyl)amino)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile
5-({6-[(3-Methoxypropyl)amino]-4-pyrimidinyl}amino)-2-pyrazincarbonitril [German] [ACD/IUPAC Name]
5-({6-[(3-Methoxypropyl)amino]-4-pyrimidinyl}amino)-2-pyrazinecarbonitrile [ACD/IUPAC Name]
5-({6-[(3-Méthoxypropyl)amino]-4-pyrimidinyl}amino)-2-pyrazinecarbonitrile [French] [ACD/IUPAC Name]
5-({6-[(3-METHOXYPROPYL)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: 533.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.4±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 74.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 9.42
ACD/KOC (pH 5.5): 159.01
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.69
ACD/KOC (pH 7.4): 214.30
Polar Surface Area: 109 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 218.1±5.0 cm3

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