ChemSpider 2D Image | (4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)(6-{[2-(3-pyridinyl)ethyl]amino}-2-pyrazinyl)methanone | C21H22N8O

(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)(6-{[2-(3-pyridinyl)ethyl]amino}-2-pyrazinyl)methanone

  • Molecular FormulaC21H22N8O
  • Average mass402.452 Da
  • Monoisotopic mass402.191650 Da
  • ChemSpider ID26325548

More details:






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

(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)(6-{[2-(3-pyridinyl)ethyl]amino}-2-pyrazinyl)methanon [German] [ACD/IUPAC Name]
(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)(6-{[2-(3-pyridinyl)ethyl]amino}-2-pyrazinyl)methanone [ACD/IUPAC Name]
(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)(6-{[2-(3-pyridinyl)éthyl]amino}-2-pyrazinyl)méthanone [French] [ACD/IUPAC Name]
[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl](6-{[2-(Pyridin-3-Yl)ethyl]amino}pyrazin-2-Yl)methanone
Methanone, [4-amino-7-(1-methylethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl][6-[[2-(3-pyridinyl)ethyl]amino]-2-pyrazinyl]- [ACD/Index Name]
3RW

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

Density: 1.4±0.1 g/cm3
Boiling Point: 714.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.8±32.9 °C
Index of Refraction: 1.721
Molar Refractivity: 113.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 9.18
ACD/KOC (pH 5.5): 148.85
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.59
ACD/KOC (pH 7.4): 236.52
Polar Surface Area: 125 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 287.7±7.0 cm3

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