ChemSpider 2D Image | 5-[3-(Benzyloxy)phenyl]-7-[cis-3-(1-pyrrolidinylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | C28H31N5O

5-[3-(Benzyloxy)phenyl]-7-[cis-3-(1-pyrrolidinylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC28H31N5O
  • Average mass453.579 Da
  • Monoisotopic mass453.252869 Da
  • ChemSpider ID30989286

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

475489-15-7 [RN]
5-(3-(Benzyloxy)phenyl)-7-(cis-3-(pyrrolidin-1-ylmethyl)cyclobutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
5-[3-(Benzyloxy)phenyl]-7-[cis-3-(1-pyrrolidinylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
5-[3-(Benzyloxy)phenyl]-7-[cis-3-(1-pyrrolidinylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
5-[3-(Benzyloxy)phényl]-7-[cis-3-(1-pyrrolidinylméthyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-[3-(phenylmethoxy)phenyl]-7-[cis-3-(1-pyrrolidinylmethyl)cyclobutyl]- [ACD/Index Name]
475488-23-4 [RN]
5-[3-(PHENYLMETHOXY)PHENYL]-7-[CIS-3-(1-PYRROLIDINYLMETHYL)CYCLOBUTYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
GSK621659A
MFCD17171298
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

475489-15-7;475488-23-4 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 677.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.5±3.0 kJ/mol
    Flash Point: 363.5±31.5 °C
    Index of Refraction: 1.699
    Molar Refractivity: 133.6±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.23
    ACD/LogD (pH 5.5): 1.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.28
    ACD/LogD (pH 7.4): 2.32
    ACD/BCF (pH 7.4): 8.65
    ACD/KOC (pH 7.4): 32.26
    Polar Surface Area: 69 Å2
    Polarizability: 53.0±0.5 10-24cm3
    Surface Tension: 54.6±7.0 dyne/cm
    Molar Volume: 346.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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