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Search term: COc1ccc(cc1C)-c1nn(CC2CCNCC2)c2ncnc(N)c12 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine | C19H24N6O

3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine

  • Molecular FormulaC19H24N6O
  • Average mass352.434 Da
  • Monoisotopic mass352.201172 Da
  • ChemSpider ID28510189

More details:

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

3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-methoxy-3-methylphenyl)-1-(4-piperidinylmethyl)- [ACD/Index Name]
3-(4-Methoxy-3-methylphenyl)-1-(4-piperidinylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
3-(4-Methoxy-3-methylphenyl)-1-(4-piperidinylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
3-(4-Méthoxy-3-méthylphényl)-1-(4-pipéridinylméthyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
C88

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

Density: 1.4±0.1 g/cm3
Boiling Point: 575.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 302.1±30.1 °C
Index of Refraction: 1.703
Molar Refractivity: 99.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 255.5±7.0 cm3

Click to predict properties on the Chemicalize site


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