ChemSpider 2D Image | 1-[(2s)-2-(Dimethylamino)-3-Methylbutyl]-3-(6-Ethoxynaphthalen-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine | C24H30N6O

1-[(2s)-2-(Dimethylamino)-3-Methylbutyl]-3-(6-Ethoxynaphthalen-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine

  • Molecular FormulaC24H30N6O
  • Average mass418.535 Da
  • Monoisotopic mass418.248108 Da
  • ChemSpider ID28527020
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-[(2s)-2-(Dimethylamino)-3-Methylbutyl]-3-(6-Ethoxynaphthalen-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
1-[(2S)-2-(Dimethylamino)-3-methylbutyl]-3-(6-ethoxy-2-naphthyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
1-[(2S)-2-(Dimethylamino)-3-methylbutyl]-3-(6-ethoxy-2-naphthyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
1-[(2S)-2-(Diméthylamino)-3-méthylbutyl]-3-(6-éthoxy-2-naphtyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidine-1-ethanamine, 4-amino-3-(6-ethoxy-2-naphthalenyl)-N,N-dimethyl-α-(1-methylethyl)-, (αS)- [ACD/Index Name]
UW9

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 609.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.5±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 122.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 6.60
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 52.17
ACD/KOC (pH 7.4): 297.61
Polar Surface Area: 82 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 339.2±7.0 cm3

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