ChemSpider 2D Image | 2,6-Dichloro-N-{2-[(2-{[(2S)-1-hydroxy-2-propanyl]amino}-6-methyl-4-pyrimidinyl)amino]-4-pyridinyl}benzamide | C20H20Cl2N6O2

2,6-Dichloro-N-{2-[(2-{[(2S)-1-hydroxy-2-propanyl]amino}-6-methyl-4-pyrimidinyl)amino]-4-pyridinyl}benzamide

  • Molecular FormulaC20H20Cl2N6O2
  • Average mass447.318 Da
  • Monoisotopic mass446.102478 Da
  • ChemSpider ID35035262
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2,6-Dichlor-N-{2-[(2-{[(2S)-1-hydroxy-2-propanyl]amino}-6-methyl-4-pyrimidinyl)amino]-4-pyridinyl}benzamid [German] [ACD/IUPAC Name]
2,6-Dichloro-N-{2-[(2-{[(2S)-1-hydroxy-2-propanyl]amino}-6-methyl-4-pyrimidinyl)amino]-4-pyridinyl}benzamide [ACD/IUPAC Name]
2,6-Dichloro-N-{2-[(2-{[(2S)-1-hydroxy-2-propanyl]amino}-6-méthyl-4-pyrimidinyl)amino]-4-pyridinyl}benzamide [French] [ACD/IUPAC Name]
2,6-Dichloro-N-{2-[(2-{[(2s)-1-Hydroxypropan-2-Yl]amino}-6-Methylpyrimidin-4-Yl)amino]pyridin-4-Yl}benzamide
Benzamide, 2,6-dichloro-N-[2-[[2-[[(1S)-2-hydroxy-1-methylethyl]amino]-6-methyl-4-pyrimidinyl]amino]-4-pyridinyl]- [ACD/Index Name]
3R1

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.714
Molar Refractivity: 119.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 12.37
ACD/KOC (pH 5.5): 78.63
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 276.31
ACD/KOC (pH 7.4): 1756.47
Polar Surface Area: 112 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 304.5±3.0 cm3

Click to predict properties on the Chemicalize site






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