ChemSpider 2D Image | 4-{2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-[(1R)-1-(4-methanesulfonylpiperazin-1-yl)ethyl]pyridin-3-yl}-6-methyl-1,3,5-triazin-2-amine | C22H28FN9O3S

4-{2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-[(1R)-1-(4-methanesulfonylpiperazin-1-yl)ethyl]pyridin-3-yl}-6-methyl-1,3,5-triazin-2-amine

  • Molecular FormulaC22H28FN9O3S
  • Average mass517.580 Da
  • Monoisotopic mass517.201965 Da
  • ChemSpider ID28641349

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3,5-Triazin-2-amine, 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-[4-(methylsulfonyl)-1-piperazinyl]ethyl]-3-pyridinyl]-6-methyl- [ACD/Index Name]
1253573-53-3 [RN]
4-(2-[(5-Fluor-6-methoxy-3-pyridinyl)amino]-5-{(1R)-1-[4-(methylsulfonyl)-1-piperazinyl]ethyl}-3-pyridinyl)-6-methyl-1,3,5-triazin-2-amin [German] [ACD/IUPAC Name]
4-(2-[(5-Fluoro-6-methoxy-3-pyridinyl)amino]-5-{(1R)-1-[4-(methylsulfonyl)-1-piperazinyl]ethyl}-3-pyridinyl)-6-methyl-1,3,5-triazin-2-amine [ACD/IUPAC Name]
4-(2-[(5-Fluoro-6-méthoxy-3-pyridinyl)amino]-5-{(1R)-1-[4-(méthylsulfonyl)-1-pipérazinyl]éthyl}-3-pyridinyl)-6-méthyl-1,3,5-triazin-2-amine [French] [ACD/IUPAC Name]
4-(2-[(5-Fluoro-6-Methoxypyridin-3-Yl)amino]-5-{(1r)-1-[4-(Methylsulfonyl)piperazin-1-Yl]ethyl}pyridin-3-Yl)-6-Methyl-1,3,5-Triazin-2-Amine
4-{2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-[(1R)-1-(4-methanesulfonylpiperazin-1-yl)ethyl]pyridin-3-yl}-6-methyl-1,3,5-triazin-2-amine
(R)-4-(2-((5-Fluoro-6-methoxypyridin-3-yl)amino)-5-(1-(4-(methylsulfonyl)piperazin-1-yl)ethyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
14K
4-[2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]pyridin-3-yl]-6-methyl-1,3,5-triazin-2-amine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 718.1±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.9±3.0 kJ/mol
    Flash Point: 388.1±35.7 °C
    Index of Refraction: 1.660
    Molar Refractivity: 130.5±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 2.00
    ACD/LogD (pH 5.5): 1.60
    ACD/BCF (pH 5.5): 9.47
    ACD/KOC (pH 5.5): 170.96
    ACD/LogD (pH 7.4): 1.62
    ACD/BCF (pH 7.4): 10.02
    ACD/KOC (pH 7.4): 181.02
    Polar Surface Area: 161 Å2
    Polarizability: 51.7±0.5 10-24cm3
    Surface Tension: 83.2±5.0 dyne/cm
    Molar Volume: 353.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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