ChemSpider 2D Image | N-[trans-4-(4-Morpholinyl)cyclohexyl]-5-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | C21H31N5O2

N-[trans-4-(4-Morpholinyl)cyclohexyl]-5-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC21H31N5O2
  • Average mass385.503 Da
  • Monoisotopic mass385.247772 Da
  • ChemSpider ID72380069

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-[trans-4-(4-morpholinyl)cyclohexyl]-5-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]
N-[trans-4-(4-Morpholinyl)cyclohexyl]-5-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-[trans-4-(4-Morpholinyl)cyclohexyl]-5-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-[trans-4-(4-Morpholinyl)cyclohexyl]-5-(tétrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
2196204-23-4 [RN]
AZ1495
IRAK4-IN-28
IRAK4-IN-3
MFCD31813626
N-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 611.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.3±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 109.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 6.12
ACD/KOC (pH 7.4): 87.47
Polar Surface Area: 75 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 304.7±3.0 cm3

Click to predict properties on the Chemicalize site


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