ChemSpider 2D Image | 5-[3-(2,5-Dimethoxyphenyl)-1-propyn-1-yl]-6-ethyl-2,4-pyrimidinediamine | C17H20N4O2

5-[3-(2,5-Dimethoxyphenyl)-1-propyn-1-yl]-6-ethyl-2,4-pyrimidinediamine

  • Molecular FormulaC17H20N4O2
  • Average mass312.366 Da
  • Monoisotopic mass312.158630 Da
  • ChemSpider ID24702741

More details:

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

2,4-Pyrimidinediamine, 5-[3-(2,5-dimethoxyphenyl)-1-propyn-1-yl]-6-ethyl- [ACD/Index Name]
5-[3-(2,5-Dimethoxyphenyl)-1-propin-1-yl]-6-ethyl-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-[3-(2,5-Dimethoxyphenyl)-1-propyn-1-yl]-6-ethyl-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-[3-(2,5-Diméthoxyphényl)-1-propyn-1-yl]-6-éthyl-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
1088496-61-0 [RN]
5-(3-(2,5-Dimethoxyphenyl)prop-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine
5-[3-(2,5-dimethoxyphenyl)prop-1-ynyl]-6-ethylpyrimidine-2,4-diamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485961/
N22
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 579.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.7±3.0 kJ/mol
    Flash Point: 304.2±32.9 °C
    Index of Refraction: 1.620
    Molar Refractivity: 88.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.91
    ACD/LogD (pH 5.5): 1.39
    ACD/BCF (pH 5.5): 3.44
    ACD/KOC (pH 5.5): 38.36
    ACD/LogD (pH 7.4): 2.51
    ACD/BCF (pH 7.4): 45.77
    ACD/KOC (pH 7.4): 510.52
    Polar Surface Area: 96 Å2
    Polarizability: 35.0±0.5 10-24cm3
    Surface Tension: 66.6±5.0 dyne/cm
    Molar Volume: 251.2±5.0 cm3

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