ChemSpider 2D Image | 2-{[(1S,2S)-2-Aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-5-pyrimidinecarboxamide | C18H24N6O

2-{[(1S,2S)-2-Aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-5-pyrimidinecarboxamide

  • Molecular FormulaC18H24N6O
  • Average mass340.423 Da
  • Monoisotopic mass340.201172 Da
  • ChemSpider ID128924439

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{[(1S,2S)-2-Aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
2-{[(1S,2S)-2-Aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-5-pyrimidinecarboxamide [ACD/IUPAC Name]
2-{[(1S,2S)-2-Aminocyclohexyl]amino}-4-[(3-méthylphényl)amino]-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxamide, 2-[[(1S,2S)-2-aminocyclohexyl]amino]-4-[(3-methylphenyl)amino]- [ACD/Index Name]
1194961-19-7 [RN]
PRT-060318

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

Density: 1.3±0.1 g/cm3
Boiling Point: 602.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 317.9±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 99.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.62
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.72
Polar Surface Area: 119 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 266.4±3.0 cm3

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