ChemSpider 2D Image | N~5~-{[2-(Ethylsulfanyl)-5-pyrimidinyl]methyl}-N~2~,N~2~-dimethyl-5,6,7,8-tetrahydro-2,5-quinazolinediamine | C17H24N6S

N5-{[2-(Ethylsulfanyl)-5-pyrimidinyl]methyl}-N2,N2-dimethyl-5,6,7,8-tetrahydro-2,5-quinazolinediamine

  • Molecular FormulaC17H24N6S
  • Average mass344.478 Da
  • Monoisotopic mass344.178314 Da
  • ChemSpider ID22189364

More details:

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

2,5-Quinazolinediamine, N5-[[2-(ethylthio)-5-pyrimidinyl]methyl]-5,6,7,8-tetrahydro-N2,N2-dimethyl- [ACD/Index Name]
N5-{[2-(Ethylsulfanyl)-5-pyrimidinyl]methyl}-N2,N2-dimethyl-5,6,7,8-tetrahydro-2,5-chinazolindiamin [German] [ACD/IUPAC Name]
N5-{[2-(Ethylsulfanyl)-5-pyrimidinyl]methyl}-N2,N2-dimethyl-5,6,7,8-tetrahydro-2,5-quinazolinediamine [ACD/IUPAC Name]
N5-{[2-(Éthylsulfanyl)-5-pyrimidinyl]méthyl}-N2,N2-diméthyl-5,6,7,8-tétrahydro-2,5-quinazolinediamine [French] [ACD/IUPAC Name]
N5-{[2-(ethylthio)-5-pyrimidinyl]methyl}-N2,N2-dimethyl-5,6,7,8-tetrahydro-2,5-quinazolinediamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 543.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.7±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 97.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 45.48
ACD/KOC (pH 5.5): 479.67
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.34
ACD/KOC (pH 7.4): 699.72
Polar Surface Area: 92 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 277.3±5.0 cm3

Click to predict properties on the Chemicalize site


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