ChemSpider 2D Image | 3-(Methyl{2-[methyl(1-methyl-4-piperidinyl)amino]thieno[3,2-d]pyrimidin-4-yl}amino)propanenitrile | C17H24N6S

3-(Methyl{2-[methyl(1-methyl-4-piperidinyl)amino]thieno[3,2-d]pyrimidin-4-yl}amino)propanenitrile

  • Molecular FormulaC17H24N6S
  • Average mass344.478 Da
  • Monoisotopic mass344.178314 Da
  • ChemSpider ID35035574

More details:

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

3-(Methyl{2-[methyl(1-methyl-4-piperidinyl)amino]thieno[3,2-d]pyrimidin-4-yl}amino)propanenitrile [ACD/IUPAC Name]
3-(Méthyl{2-[méthyl(1-méthyl-4-pipéridinyl)amino]thiéno[3,2-d]pyrimidin-4-yl}amino)propanenitrile [French] [ACD/IUPAC Name]
3-(Methyl{2-[methyl(1-methyl-4-piperidinyl)amino]thieno[3,2-d]pyrimidin-4-yl}amino)propannitril [German] [ACD/IUPAC Name]
3-[methyl-[2-[methyl-(1-Methylpiperidin-4-Yl)amino]thieno[3,2-D]pyrimidin-4-Yl]amino]propanenitrile
Propanenitrile, 3-[methyl[2-[methyl(1-methyl-4-piperidinyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]- [ACD/Index Name]
6KV

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

Density: 1.3±0.1 g/cm3
Boiling Point: 547.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 285.1±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 2.60
ACD/KOC (pH 7.4): 26.30
Polar Surface Area: 88 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 275.4±3.0 cm3

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