ChemSpider 2D Image | 5-{4-Bromo-3,5-bis[(~2~H_3_)methyloxy]benzyl}-2,4-pyrimidinediamine | C13H9D6BrN4O2

5-{4-Bromo-3,5-bis[(2H3)methyloxy]benzyl}-2,4-pyrimidinediamine

  • Molecular FormulaC13H9D6BrN4O2
  • Average mass345.225 Da
  • Monoisotopic mass344.075500 Da
  • ChemSpider ID48059652

  • Non-standard isotope - Non-standard isotope

More details:

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

2,4-Pyrimidinediamine, 5-[[4-bromo-3,5-bis(methyl-d3-oxy)phenyl]methyl]- [ACD/Index Name]
5-{4-Brom-3,5-bis[(2H3)methyloxy]benzyl}-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-{4-Bromo-3,5-bis[(2H3)methyloxy]benzyl}-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-{4-Bromo-3,5-bis[(2H3)méthyloxy]benzyl}-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
1346599-93-6 [RN]
5-[[4-bromo-3,5-bis(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamine
brodimoprim-d6

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 563.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.7±3.0 kJ/mol
    Flash Point: 294.7±32.9 °C
    Index of Refraction: 1.646
    Molar Refractivity: 81.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.43
    ACD/LogD (pH 5.5): 0.52
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 11.05
    ACD/LogD (pH 7.4): 1.76
    ACD/BCF (pH 7.4): 12.03
    ACD/KOC (pH 7.4): 192.14
    Polar Surface Area: 96 Å2
    Polarizability: 32.2±0.5 10-24cm3
    Surface Tension: 59.5±3.0 dyne/cm
    Molar Volume: 224.0±3.0 cm3

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