ChemSpider 2D Image | trans-4-{[4-(1H-Indazol-1-yl)-2-pyrimidinyl]amino}cyclohexanol | C17H19N5O

trans-4-{[4-(1H-Indazol-1-yl)-2-pyrimidinyl]amino}cyclohexanol

  • Molecular FormulaC17H19N5O
  • Average mass309.366 Da
  • Monoisotopic mass309.158966 Da
  • ChemSpider ID30834590

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanol, 4-[[4-(1H-indazol-1-yl)-2-pyrimidinyl]amino]-, trans- [ACD/Index Name]
trans-4-{[4-(1H-Indazol-1-yl)-2-pyrimidinyl]amino}cyclohexanol [German] [ACD/IUPAC Name]
trans-4-{[4-(1H-Indazol-1-yl)-2-pyrimidinyl]amino}cyclohexanol [ACD/IUPAC Name]
trans-4-{[4-(1H-Indazol-1-yl)-2-pyrimidinyl]amino}cyclohexanol [French] [ACD/IUPAC Name]
Trans-4-{[4-(1h-Indazol-1-Yl)pyrimidin-2-Yl]amino}cyclohexanol
1BJ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 502.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 257.7±32.9 °C
Index of Refraction: 1.733
Molar Refractivity: 87.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 36.16
ACD/KOC (pH 5.5): 453.85
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 36.19
ACD/KOC (pH 7.4): 454.17
Polar Surface Area: 76 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 60.2±7.0 dyne/cm
Molar Volume: 219.1±7.0 cm3

Click to predict properties on the Chemicalize site


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