ChemSpider 2D Image | 4-[(1S,5R,6R)-6-Amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methyl-5-pyrimidinyl)oxy]-9H-pyrimido[4,5-b]indol-8-amine | C23H25FN8O

4-[(1S,5R,6R)-6-Amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methyl-5-pyrimidinyl)oxy]-9H-pyrimido[4,5-b]indol-8-amine

  • Molecular FormulaC23H25FN8O
  • Average mass448.496 Da
  • Monoisotopic mass448.213531 Da
  • ChemSpider ID35035656

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-[(1S,5R,6R)-6-Amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluor-N-methyl-2-[(2-methyl-5-pyrimidinyl)oxy]-9H-pyrimido[4,5-b]indol-8-amin [German] [ACD/IUPAC Name]
4-[(1S,5R,6R)-6-Amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methyl-5-pyrimidinyl)oxy]-9H-pyrimido[4,5-b]indol-8-amine [ACD/IUPAC Name]
4-[(1S,5R,6R)-6-Amino-1-méthyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-méthyl-2-[(2-méthyl-5-pyrimidinyl)oxy]-9H-pyrimido[4,5-b]indol-8-amine [French] [ACD/IUPAC Name]
4-[(1s,5r,6r)-6-Amino-1-Methyl-3-Azabicyclo[3.2.0]hept-3-Yl]-6-Fluoro-N-Methyl-2-[(2-Methylpyrimidin-5-Yl)oxy]-9h-Pyrimido[4,5-B]indol-8-Amine
9H-Pyrimido[4,5-b]indol-8-amine, 4-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methyl-5-pyrimidinyl)oxy]- [ACD/Index Name]

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

920 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 708.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.1±35.7 °C
Index of Refraction: 1.733
Molar Refractivity: 125.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 78.6±3.0 dyne/cm
Molar Volume: 312.8±3.0 cm3

Click to predict properties on the Chemicalize site


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