ChemSpider 2D Image | N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-N4-(1-Methylimidazol-4-Yl)-6-Morpholino-1,3,5-Triazine-2,4-Diamine | C17H21FN10O

N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-N4-(1-Methylimidazol-4-Yl)-6-Morpholino-1,3,5-Triazine-2,4-Diamine

  • Molecular FormulaC17H21FN10O
  • Average mass400.413 Da
  • Monoisotopic mass400.188385 Da
  • ChemSpider ID35034654

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3,5-Triazine-2,4-diamine, N2-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(1-methyl-1H-imidazol-4-yl)-6-(4-morpholinyl)- [ACD/Index Name]
N-[(1S)-1-(5-Fluor-2-pyrimidinyl)ethyl]-N'-(1-methyl-1H-imidazol-4-yl)-6-(4-morpholinyl)-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
N-[(1S)-1-(5-Fluoro-2-pyrimidinyl)ethyl]-N'-(1-methyl-1H-imidazol-4-yl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
N-[(1S)-1-(5-Fluoro-2-pyrimidinyl)éthyl]-N'-(1-méthyl-1H-imidazol-4-yl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]
N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-N4-(1-Methylimidazol-4-Yl)-6-Morpholino-1,3,5-Triazine-2,4-Diamine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 667.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.4±34.3 °C
Index of Refraction: 1.735
Molar Refractivity: 103.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.45
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.16
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 34.38
Polar Surface Area: 119 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 259.0±7.0 cm3

Click to predict properties on the Chemicalize site


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