Found 106 results

Search term: MF = 'C_{21}H_{28}N_{8}O_{2}S'
ChemSpider 2D Image | 6-{4-[(2-Isopropyl-1-methyl-1H-imidazol-4-yl)sulfonyl]-1-piperazinyl}-N-(4-methyl-2-pyridinyl)-4-pyrimidinamine | C21H28N8O2S

6-{4-[(2-Isopropyl-1-methyl-1H-imidazol-4-yl)sulfonyl]-1-piperazinyl}-N-(4-methyl-2-pyridinyl)-4-pyrimidinamine

  • Molecular FormulaC21H28N8O2S
  • Average mass456.564 Da
  • Monoisotopic mass456.205597 Da
  • ChemSpider ID58389198

More details:

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

4-Pyrimidinamine, 6-[4-[[1-methyl-2-(1-methylethyl)-1H-imidazol-4-yl]sulfonyl]-1-piperazinyl]-N-(4-methyl-2-pyridinyl)- [ACD/Index Name]
6-{4-[(2-Isopropyl-1-methyl-1H-imidazol-4-yl)sulfonyl]-1-piperazinyl}-N-(4-methyl-2-pyridinyl)-4-pyrimidinamin [German] [ACD/IUPAC Name]
6-{4-[(2-Isopropyl-1-methyl-1H-imidazol-4-yl)sulfonyl]-1-piperazinyl}-N-(4-methyl-2-pyridinyl)-4-pyrimidinamine [ACD/IUPAC Name]
6-{4-[(2-Isopropyl-1-méthyl-1H-imidazol-4-yl)sulfonyl]-1-pipérazinyl}-N-(4-méthyl-2-pyridinyl)-4-pyrimidinamine [French] [ACD/IUPAC Name]
6-(4-((2-isopropyl-1-methyl-1H-imidazol-4-yl)sulfonyl)piperazin-1-yl)-N-(4-methylpyridin-2-yl)pyrimidin-4-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 705.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.6±35.7 °C
Index of Refraction: 1.687
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.73
ACD/KOC (pH 5.5): 18.77
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 40.96
ACD/KOC (pH 7.4): 445.23
Polar Surface Area: 118 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 329.0±7.0 cm3

Click to predict properties on the Chemicalize site


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