ChemSpider 2D Image | 4-Methyl-5-(6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Ylthieno[3,2-D]pyrimidin-2-Yl)pyrimidin-2-Amine | C21H28N8O3S2

4-Methyl-5-(6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Ylthieno[3,2-D]pyrimidin-2-Yl)pyrimidin-2-Amine

  • Molecular FormulaC21H28N8O3S2
  • Average mass504.629 Da
  • Monoisotopic mass504.172577 Da
  • ChemSpider ID24661432

More details:

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

2-Pyrimidinamine, 4-methyl-5-[6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-2-yl]- [ACD/Index Name]
4-Methyl-5-(6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Ylthieno[3,2-D]pyrimidin-2-Yl)pyrimidin-2-Amine
4-Methyl-5-[6-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-Methyl-5-[6-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyrimidinamine [ACD/IUPAC Name]
4-Méthyl-5-[6-{[4-(méthylsulfonyl)-1-pipérazinyl]méthyl}-4-(4-morpholinyl)thiéno[3,2-d]pyrimidin-2-yl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
JZY

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

Density: 1.5±0.1 g/cm3
Boiling Point: 693.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.1±34.3 °C
Index of Refraction: 1.717
Molar Refractivity: 131.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.81
ACD/KOC (pH 5.5): 68.55
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.47
ACD/KOC (pH 7.4): 84.68
Polar Surface Area: 167 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 92.9±5.0 dyne/cm
Molar Volume: 332.7±5.0 cm3

Click to predict properties on the Chemicalize site


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