ChemSpider 2D Image | 4-(4-{[2-(Ethylsulfanyl)-5-pyrimidinyl]methyl}-1-piperazinyl)-2,5-dimethylpyrimidine | C17H24N6S

4-(4-{[2-(Ethylsulfanyl)-5-pyrimidinyl]methyl}-1-piperazinyl)-2,5-dimethylpyrimidine

  • Molecular FormulaC17H24N6S
  • Average mass344.478 Da
  • Monoisotopic mass344.178314 Da
  • ChemSpider ID29626901

More details:

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

4-(4-{[2-(Ethylsulfanyl)-5-pyrimidinyl]methyl}-1-piperazinyl)-2,5-dimethylpyrimidin [German] [ACD/IUPAC Name]
4-(4-{[2-(Ethylsulfanyl)-5-pyrimidinyl]methyl}-1-piperazinyl)-2,5-dimethylpyrimidine [ACD/IUPAC Name]
4-(4-{[2-(Éthylsulfanyl)-5-pyrimidinyl]méthyl}-1-pipérazinyl)-2,5-diméthylpyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-[4-[[2-(ethylthio)-5-pyrimidinyl]methyl]-1-piperazinyl]-2,5-dimethyl- [ACD/Index Name]
4-(4-{[2-(ethylthio)pyrimidin-5-yl]methyl}piperazin-1-yl)-2,5-dimethylpyrimidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 502.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.6±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 98.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 23.39
Polar Surface Area: 83 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 275.5±5.0 cm3

Click to predict properties on the Chemicalize site


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