ChemSpider 2D Image | tert-Butyl 5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indoline-1-carboxylate | C20H23N5O2

tert-Butyl 5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indoline-1-carboxylate

  • Molecular FormulaC20H23N5O2
  • Average mass365.429 Da
  • Monoisotopic mass365.185181 Da
  • ChemSpider ID31023832

More details:

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

1391053-27-2 [RN]
1H-Indole-1-carboxylic acid, 5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1-indolinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1-indolincarboxylat [German] [ACD/IUPAC Name]
5-(4-Amino-7-méthyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1-indolinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indoline-1-carboxylate
5-(1-tert-butyloxycarbonyl-2,3-dihydro-1h-indol-5-yl)-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine
EK-0207
MFCD28023544 [MDL number]
tert-Butyl 5-(4-amino-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1h-indole-1-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 594.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.7±3.0 kJ/mol
    Flash Point: 313.6±30.1 °C
    Index of Refraction: 1.672
    Molar Refractivity: 102.5±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.98
    ACD/LogD (pH 5.5): 2.98
    ACD/BCF (pH 5.5): 74.47
    ACD/KOC (pH 5.5): 491.55
    ACD/LogD (pH 7.4): 3.63
    ACD/BCF (pH 7.4): 331.73
    ACD/KOC (pH 7.4): 2189.58
    Polar Surface Area: 86 Å2
    Polarizability: 40.6±0.5 10-24cm3
    Surface Tension: 51.0±7.0 dyne/cm
    Molar Volume: 273.8±7.0 cm3

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