ChemSpider 2D Image | 3-{[5-(Methylsulfanyl)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-1-propanol | C10H14N4OS

3-{[5-(Methylsulfanyl)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-1-propanol

  • Molecular FormulaC10H14N4OS
  • Average mass238.309 Da
  • Monoisotopic mass238.088837 Da
  • ChemSpider ID24808971

More details:

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

1-Propanol, 3-[[5-(methylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]- [ACD/Index Name]
3-{[5-(Methylsulfanyl)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-1-propanol [ACD/IUPAC Name]
3-{[5-(Methylsulfanyl)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-1-propanol [German] [ACD/IUPAC Name]
3-{[5-(Méthylsulfanyl)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-1-propanol [French] [ACD/IUPAC Name]
Kinome_1029

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 65.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.32
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.85
ACD/KOC (pH 7.4): 105.36
Polar Surface Area: 99 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 78.0±5.0 dyne/cm
Molar Volume: 174.0±5.0 cm3

Click to predict properties on the Chemicalize site


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