ChemSpider 2D Image | N-Methyl-4-[2-(methylsulfanyl)-4-pyrimidinyl]-1-[(3R)-tetrahydro-3-furanyl]-1H-pyrazol-5-amine | C13H17N5OS

N-Methyl-4-[2-(methylsulfanyl)-4-pyrimidinyl]-1-[(3R)-tetrahydro-3-furanyl]-1H-pyrazol-5-amine

  • Molecular FormulaC13H17N5OS
  • Average mass291.372 Da
  • Monoisotopic mass291.115387 Da
  • ChemSpider ID24741814

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazol-5-amine, N-methyl-4-[2-(methylthio)-4-pyrimidinyl]-1-[(3R)-tetrahydro-3-furanyl]- [ACD/Index Name]
N-Methyl-4-[2-(methylsulfanyl)-4-pyrimidinyl]-1-[(3R)-tetrahydro-3-furanyl]-1H-pyrazol-5-amin [German] [ACD/IUPAC Name]
N-Methyl-4-[2-(methylsulfanyl)-4-pyrimidinyl]-1-[(3R)-tetrahydro-3-furanyl]-1H-pyrazol-5-amine [ACD/IUPAC Name]
N-Méthyl-4-[2-(méthylsulfanyl)-4-pyrimidinyl]-1-[(3R)-tétrahydro-3-furanyl]-1H-pyrazol-5-amine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 545.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 283.8±30.1 °C
Index of Refraction: 1.705
Molar Refractivity: 79.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.60
ACD/KOC (pH 5.5): 148.58
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.60
ACD/KOC (pH 7.4): 148.59
Polar Surface Area: 90 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 205.3±7.0 cm3

Click to predict properties on the Chemicalize site


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