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Search term: PHPWNBVMNTWSJB-GFCCVEGCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 6-[(5-cyano-2-pyrazinyl)amino]-4-{[(2R)-2-morpholinylmethyl]amino}nicotinate | C17H19N7O3

Methyl 6-[(5-cyano-2-pyrazinyl)amino]-4-{[(2R)-2-morpholinylmethyl]amino}nicotinate

  • Molecular FormulaC17H19N7O3
  • Average mass369.378 Da
  • Monoisotopic mass369.154938 Da
  • ChemSpider ID32809353

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Pyridinecarboxylic acid, 6-[(5-cyano-2-pyrazinyl)amino]-4-[[(2R)-2-morpholinylmethyl]amino]-, methyl ester [ACD/Index Name]
6-[(5-Cyano-2-pyrazinyl)amino]-4-{[(2R)-2-morpholinylméthyl]amino}nicotinate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-[(5-cyano-2-pyrazinyl)amino]-4-{[(2R)-2-morpholinylmethyl]amino}nicotinate [ACD/IUPAC Name]
Methyl 6-[(5-Cyanopyrazin-2-Yl)amino]-4-[[(2~{r})-Morpholin-2-Yl]methylamino]pyridine-3-Carboxylate
Methyl-6-[(5-cyan-2-pyrazinyl)amino]-4-{[(2R)-2-morpholinylmethyl]amino}nicotinat [German] [ACD/IUPAC Name]
5UY

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

Density: 1.4±0.1 g/cm3
Boiling Point: 582.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.2±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 94.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.50
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.93
ACD/KOC (pH 7.4): 26.51
Polar Surface Area: 134 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 265.7±5.0 cm3

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