ChemSpider 2D Image | 5-[6-{[1-(Methylsulfonyl)-4-piperidinyl]methyl}-4-(4-morpholinyl)thieno[2,3-d]pyrimidin-2-yl]-2-pyrimidinamine | C21H27N7O3S2

5-[6-{[1-(Methylsulfonyl)-4-piperidinyl]methyl}-4-(4-morpholinyl)thieno[2,3-d]pyrimidin-2-yl]-2-pyrimidinamine

  • Molecular FormulaC21H27N7O3S2
  • Average mass489.614 Da
  • Monoisotopic mass489.161682 Da
  • ChemSpider ID28430391

More details:






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

2-Pyrimidinamine, 5-[6-[[1-(methylsulfonyl)-4-piperidinyl]methyl]-4-(4-morpholinyl)thieno[2,3-d]pyrimidin-2-yl]- [ACD/Index Name]
5-[6-{[1-(Methylsulfonyl)-4-piperidinyl]methyl}-4-(4-morpholinyl)thieno[2,3-d]pyrimidin-2-yl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-[6-{[1-(Methylsulfonyl)-4-piperidinyl]methyl}-4-(4-morpholinyl)thieno[2,3-d]pyrimidin-2-yl]-2-pyrimidinamine [ACD/IUPAC Name]
5-[6-{[1-(Méthylsulfonyl)-4-pipéridinyl]méthyl}-4-(4-morpholinyl)thiéno[2,3-d]pyrimidin-2-yl]-2-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 689.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.5±34.3 °C
Index of Refraction: 1.704
Molar Refractivity: 127.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.76
ACD/KOC (pH 5.5): 249.28
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.01
ACD/KOC (pH 7.4): 253.39
Polar Surface Area: 164 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 89.1±5.0 dyne/cm
Molar Volume: 327.5±5.0 cm3

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