ChemSpider 2D Image | trans-4-{[2-(Butylamino)-5-(2-pyridinyl)-4-pyrimidinyl]amino}cyclohexanol | C19H27N5O

trans-4-{[2-(Butylamino)-5-(2-pyridinyl)-4-pyrimidinyl]amino}cyclohexanol

  • Molecular FormulaC19H27N5O
  • Average mass341.451 Da
  • Monoisotopic mass341.221558 Da
  • ChemSpider ID31130685

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanol, 4-[[2-(butylamino)-5-(2-pyridinyl)-4-pyrimidinyl]amino]-, trans- [ACD/Index Name]
trans-4-{[2-(Butylamino)-5-(2-pyridinyl)-4-pyrimidinyl]amino}cyclohexanol [German] [ACD/IUPAC Name]
trans-4-{[2-(Butylamino)-5-(2-pyridinyl)-4-pyrimidinyl]amino}cyclohexanol [ACD/IUPAC Name]
trans-4-{[2-(Butylamino)-5-(2-pyridinyl)-4-pyrimidinyl]amino}cyclohexanol [French] [ACD/IUPAC Name]
Trans-4-{[2-(Butylamino)-5-(Pyridin-2-Yl)pyrimidin-4-Yl]amino}cyclohexanol
24K

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

Density: 1.2±0.1 g/cm3
Boiling Point: 578.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.6±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 9.23
ACD/KOC (pH 5.5): 108.67
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.24
ACD/KOC (pH 7.4): 508.87
Polar Surface Area: 83 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 282.3±3.0 cm3

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