ChemSpider 2D Image | 5,6-Dimethyl-N-{[1-(methylsulfonyl)-3-piperidinyl]methyl}thieno[2,3-d]pyrimidin-4-amine | C15H22N4O2S2

5,6-Dimethyl-N-{[1-(methylsulfonyl)-3-piperidinyl]methyl}thieno[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC15H22N4O2S2
  • Average mass354.491 Da
  • Monoisotopic mass354.118408 Da
  • ChemSpider ID29516801

More details:

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

5,6-Dimethyl-N-{[1-(methylsulfonyl)-3-piperidinyl]methyl}thieno[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
5,6-Dimethyl-N-{[1-(methylsulfonyl)-3-piperidinyl]methyl}thieno[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
5,6-Diméthyl-N-{[1-(méthylsulfonyl)-3-pipéridinyl]méthyl}thiéno[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4-amine, 5,6-dimethyl-N-[[1-(methylsulfonyl)-3-piperidinyl]methyl]- [ACD/Index Name]
5,6-dimethyl-N-{[1-(methylsulfonyl)piperidin-3-yl]methyl}thieno[2,3-d]pyrimidin-4-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 563.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.7±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 31.36
ACD/KOC (pH 5.5): 314.45
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.23
ACD/KOC (pH 7.4): 784.34
Polar Surface Area: 112 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 261.6±5.0 cm3

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