ChemSpider 2D Image | 5-((6-(4-(Hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile | C15H17N7O

5-((6-(4-(Hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile

  • Molecular FormulaC15H17N7O
  • Average mass311.342 Da
  • Monoisotopic mass311.149445 Da
  • ChemSpider ID30776152

More details:

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

1137475-54-7 [RN]
2-Pyrazinecarbonitrile, 5-[[6-[4-(hydroxymethyl)-1-piperidinyl]-4-pyrimidinyl]amino]- [ACD/Index Name]
5-((6-(4-(Hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile
5-({6-[4-(Hydroxymethyl)-1-piperidinyl]-4-pyrimidinyl}amino)-2-pyrazincarbonitril [German] [ACD/IUPAC Name]
5-({6-[4-(Hydroxymethyl)-1-piperidinyl]-4-pyrimidinyl}amino)-2-pyrazinecarbonitrile [ACD/IUPAC Name]
5-({6-[4-(Hydroxyméthyl)-1-pipéridinyl]-4-pyrimidinyl}amino)-2-pyrazinecarbonitrile [French] [ACD/IUPAC Name]
5-({6-[4-(HYDROXYMETHYL)PIPERIDIN-1-YL]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: 582.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.8±30.1 °C
Index of Refraction: 1.659
Molar Refractivity: 82.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 2.81
ACD/KOC (pH 5.5): 57.93
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.19
ACD/KOC (pH 7.4): 127.79
Polar Surface Area: 111 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 90.4±5.0 dyne/cm
Molar Volume: 222.4±5.0 cm3

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