ChemSpider 2D Image | 6-Fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methyl-5-pyrimidinyl)oxy]-9H-pyrimido[4,5-b]indol-8-amine | C22H23FN8O

6-Fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methyl-5-pyrimidinyl)oxy]-9H-pyrimido[4,5-b]indol-8-amine

  • Molecular FormulaC22H23FN8O
  • Average mass434.469 Da
  • Monoisotopic mass434.197876 Da
  • ChemSpider ID35035837

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

6-Fluor-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methyl-5-pyrimidinyl)oxy]-9H-pyrimido[4,5-b]indol-8-amin [German] [ACD/IUPAC Name]
6-Fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methyl-5-pyrimidinyl)oxy]-9H-pyrimido[4,5-b]indol-8-amine [ACD/IUPAC Name]
6-Fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-méthyl-2-[(2-méthyl-5-pyrimidinyl)oxy]-9H-pyrimido[4,5-b]indol-8-amine [French] [ACD/IUPAC Name]
6-Fluoro-4-[(3ar,6ar)-Hexahydropyrrolo[3,4-B]pyrrol-5(1h)-Yl]-N-Methyl-2-[(2-Methylpyrimidin-5-Yl)oxy]-9h-Pyrimido[4,5-B]indol-8-Amine
9H-Pyrimido[4,5-b]indol-8-amine, 6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methyl-5-pyrimidinyl)oxy]- [ACD/Index Name]
DOO

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

Density: 1.4±0.1 g/cm3
Boiling Point: 724.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.0±35.7 °C
Index of Refraction: 1.722
Molar Refractivity: 120.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 74.4±3.0 dyne/cm
Molar Volume: 304.2±3.0 cm3

Click to predict properties on the Chemicalize site


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