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

5-[6-{[4-(Methylsulfonyl)-1-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 ID28430392

More details:






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

2-Pyrimidinamine, 5-[6-[[4-(methylsulfonyl)-1-piperidinyl]methyl]-4-(4-morpholinyl)thieno[2,3-d]pyrimidin-2-yl]- [ACD/Index Name]
5-[6-{[4-(Methylsulfonyl)-1-piperidinyl]methyl}-4-(4-morpholinyl)thieno[2,3-d]pyrimidin-2-yl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-[6-{[4-(Methylsulfonyl)-1-piperidinyl]methyl}-4-(4-morpholinyl)thieno[2,3-d]pyrimidin-2-yl]-2-pyrimidinamine [ACD/IUPAC Name]
5-[6-{[4-(Méthylsulfonyl)-1-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: 717.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.5±35.7 °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: 0.09
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.20
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 49.51
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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