ChemSpider 2D Image | 6-{[(1,3-Dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)amino]methyl}-2-methyl-4(1H)-pyrimidinone | C12H14N6OS

6-{[(1,3-Dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)amino]methyl}-2-methyl-4(1H)-pyrimidinone

  • Molecular FormulaC12H14N6OS
  • Average mass290.344 Da
  • Monoisotopic mass290.094971 Da
  • ChemSpider ID30960367

More details:

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

4-Pyrimidinol, 6-[[(1,3-dimethyl-1H-pyrazolo[3,4-d]thiazol-5-yl)amino]methyl]-2-methyl- [ACD/Index Name]
6-{[(1,3-Dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)amino]methyl}-2-methyl-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
6-{[(1,3-Dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)amino]methyl}-2-methyl-4(1H)-pyrimidinone [ACD/IUPAC Name]
6-{[(1,3-Diméthyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)amino]méthyl}-2-méthyl-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
6-{[(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)amino]methyl}-2-methylpyrimidin-4-ol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 520.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 268.3±32.9 °C
Index of Refraction: 1.786
Molar Refractivity: 77.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 2.87
ACD/KOC (pH 5.5): 56.73
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 2.93
ACD/KOC (pH 7.4): 57.89
Polar Surface Area: 117 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 183.8±7.0 cm3

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