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

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

  • Molecular FormulaC13H15N7O
  • Average mass285.305 Da
  • Monoisotopic mass285.133820 Da
  • ChemSpider ID30776142

More details:

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

1137475-52-5 [RN]
2-Pyrazinecarbonitrile, 5-[[6-[(4-hydroxybutyl)amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
5-((6-((4-Hydroxybutyl)amino)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile
5-({6-[(4-Hydroxybutyl)amino]-4-pyrimidinyl}amino)-2-pyrazincarbonitril [German] [ACD/IUPAC Name]
5-({6-[(4-Hydroxybutyl)amino]-4-pyrimidinyl}amino)-2-pyrazinecarbonitrile [ACD/IUPAC Name]
5-({6-[(4-Hydroxybutyl)amino]-4-pyrimidinyl}amino)-2-pyrazinecarbonitrile [French] [ACD/IUPAC Name]
5-({6-[(4-HYDROXYBUTYL)AMINO]PYRIMIDIN-4-YL}AMINO)PYRAZINE-2-CARBONITRILE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 576.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 302.7±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 74.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 6.72
ACD/KOC (pH 5.5): 124.36
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.19
ACD/KOC (pH 7.4): 170.12
Polar Surface Area: 120 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 86.9±5.0 dyne/cm
Molar Volume: 209.4±5.0 cm3

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