ChemSpider 2D Image | 2-{[(3R,4R)-3-Aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]-5-pyrimidinecarboxamide | C17H22N6O2

2-{[(3R,4R)-3-Aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]-5-pyrimidinecarboxamide

  • Molecular FormulaC17H22N6O2
  • Average mass342.396 Da
  • Monoisotopic mass342.180420 Da
  • ChemSpider ID26328838
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-{[(3R,4R)-3-Aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
2-{[(3R,4R)-3-Aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]-5-pyrimidinecarboxamide [ACD/IUPAC Name]
2-{[(3R,4R)-3-Aminotétrahydro-2H-pyran-4-yl]amino}-4-[(4-méthylphényl)amino]-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
2-{[(3r,4r)-3-Aminotetrahydro-2h-Pyran-4-Yl]amino}-4-[(4-Methylphenyl)amino]pyrimidine-5-Carboxamide
5-Pyrimidinecarboxamide, 2-[[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino]-4-[(4-methylphenyl)amino]- [ACD/Index Name]
10.1016/j.bmcl.2011.07.082
1240390-27-5 [RN]
GSK143
S19

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 631.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.8±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.79
Polar Surface Area: 128 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 68.9±3.0 dyne/cm
Molar Volume: 257.5±3.0 cm3

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