ChemSpider 2D Image | 5-{[(1R,2S)-2-Aminocyclohexyl]amino}-3-{[6-methyl-2-(2H-1,2,3-triazol-2-yl)-4-pyrimidinyl]amino}-2-pyridinecarboxamide | C19H24N10O

5-{[(1R,2S)-2-Aminocyclohexyl]amino}-3-{[6-methyl-2-(2H-1,2,3-triazol-2-yl)-4-pyrimidinyl]amino}-2-pyridinecarboxamide

  • Molecular FormulaC19H24N10O
  • Average mass408.460 Da
  • Monoisotopic mass408.213440 Da
  • ChemSpider ID58986070

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinecarboxamide, 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-2-(2H-1,2,3-triazol-2-yl)-4-pyrimidinyl]amino]- [ACD/Index Name]
5-{[(1R,2S)-2-Aminocyclohexyl]amino}-3-{[6-methyl-2-(2H-1,2,3-triazol-2-yl)-4-pyrimidinyl]amino}-2-pyridincarboxamid [German] [ACD/IUPAC Name]
5-{[(1R,2S)-2-Aminocyclohexyl]amino}-3-{[6-methyl-2-(2H-1,2,3-triazol-2-yl)-4-pyrimidinyl]amino}-2-pyridinecarboxamide [ACD/IUPAC Name]
5-{[(1R,2S)-2-Aminocyclohexyl]amino}-3-{[6-méthyl-2-(2H-1,2,3-triazol-2-yl)-4-pyrimidinyl]amino}-2-pyridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 722.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.4±35.7 °C
Index of Refraction: 1.795
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -2.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 72.9±7.0 dyne/cm
Molar Volume: 257.9±7.0 cm3

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