ChemSpider 2D Image | 4-(2-[(5-Methoxy-3-pyridinyl)amino]-5-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-3-pyridinyl)-6-methyl-1,3,5-triazin-2-amine | C21H27N9O3S

4-(2-[(5-Methoxy-3-pyridinyl)amino]-5-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-3-pyridinyl)-6-methyl-1,3,5-triazin-2-amine

  • Molecular FormulaC21H27N9O3S
  • Average mass485.563 Da
  • Monoisotopic mass485.195770 Da
  • ChemSpider ID28644698

More details:

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

1,3,5-Triazin-2-amine, 4-[2-[(5-methoxy-3-pyridinyl)amino]-5-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-3-pyridinyl]-6-methyl- [ACD/Index Name]
4-(2-[(5-Methoxy-3-pyridinyl)amino]-5-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-3-pyridinyl)-6-methyl-1,3,5-triazin-2-amin [German] [ACD/IUPAC Name]
4-(2-[(5-Methoxy-3-pyridinyl)amino]-5-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-3-pyridinyl)-6-methyl-1,3,5-triazin-2-amine [ACD/IUPAC Name]
4-(2-[(5-Méthoxy-3-pyridinyl)amino]-5-{[4-(méthylsulfonyl)-1-pipérazinyl]méthyl}-3-pyridinyl)-6-méthyl-1,3,5-triazin-2-amine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 746.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.2±35.7 °C
Index of Refraction: 1.681
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 62.48
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.88
ACD/KOC (pH 7.4): 74.20
Polar Surface Area: 161 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 89.5±5.0 dyne/cm
Molar Volume: 332.2±5.0 cm3

Click to predict properties on the Chemicalize site


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