ChemSpider 2D Image | 5-(4-Bromophenyl)-6-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy}-4-pyrimidinamine | C16H13Br2N5O2

5-(4-Bromophenyl)-6-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy}-4-pyrimidinamine

  • Molecular FormulaC16H13Br2N5O2
  • Average mass467.115 Da
  • Monoisotopic mass464.943573 Da
  • ChemSpider ID44209442

More details:

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

4-Pyrimidinamine, 5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]- [ACD/Index Name]
5-(4-Bromophenyl)-6-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy}-4-pyrimidinamine [ACD/IUPAC Name]
5-(4-Bromophényl)-6-{2-[(5-bromo-2-pyrimidinyl)oxy]éthoxy}-4-pyrimidinamine [French] [ACD/IUPAC Name]
5-(4-Bromphenyl)-6-{2-[(5-brom-2-pyrimidinyl)oxy]ethoxy}-4-pyrimidinamin [German] [ACD/IUPAC Name]
1433875-21-8 [RN]
5-(4-bromophenyl)-6-(2-((5-bromopyrimidin-2-yl)oxy)ethoxy)pyrimidin-4-amine
5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
ACT 080803
CS-13437
despropylaminosulfonyl macitentan
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 607.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.3±3.0 kJ/mol
    Flash Point: 321.2±34.3 °C
    Index of Refraction: 1.662
    Molar Refractivity: 100.4±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.16
    ACD/LogD (pH 5.5): 3.39
    ACD/BCF (pH 5.5): 223.20
    ACD/KOC (pH 5.5): 1667.53
    ACD/LogD (pH 7.4): 3.40
    ACD/BCF (pH 7.4): 224.50
    ACD/KOC (pH 7.4): 1677.23
    Polar Surface Area: 96 Å2
    Polarizability: 39.8±0.5 10-24cm3
    Surface Tension: 65.9±3.0 dyne/cm
    Molar Volume: 271.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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