ChemSpider 2D Image | N-(1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-2-(3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine | C21H25N7

N-(1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-2-(3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC21H25N7
  • Average mass375.470 Da
  • Monoisotopic mass375.217133 Da
  • ChemSpider ID29459250

More details:

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

Cyclohepta[c]pyrazole-3-methanamine, N-[6,7-dihydro-2-(3-pyridinyl)-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-1,4,5,6,7,8-hexahydro-N-methyl- [ACD/Index Name]
N-(1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-2-(3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-(1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-2-(3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-(1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazol-3-ylméthyl)-N-méthyl-2-(3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 580.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.8±30.1 °C
Index of Refraction: 1.661
Molar Refractivity: 108.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 16.09
ACD/KOC (pH 5.5): 186.28
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 46.89
ACD/KOC (pH 7.4): 542.93
Polar Surface Area: 83 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 294.3±3.0 cm3

Click to predict properties on the Chemicalize site


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