ChemSpider 2D Image | 2-Methyl-2-propanyl [(2R)-4-methyl-1-(4-{4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyrimidinyl}-1-piperidinyl)-1-oxo-2-pentanyl]carbamate | C25H38N6O3S

2-Methyl-2-propanyl [(2R)-4-methyl-1-(4-{4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyrimidinyl}-1-piperidinyl)-1-oxo-2-pentanyl]carbamate

  • Molecular FormulaC25H38N6O3S
  • Average mass502.673 Da
  • Monoisotopic mass502.272614 Da
  • ChemSpider ID68410865

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2R)-4-Méthyl-1-(4-{4-méthyl-6-[(5-méthyl-1,3-thiazol-2-yl)amino]-2-pyrimidinyl}-1-pipéridinyl)-1-oxo-2-pentanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2R)-4-methyl-1-(4-{4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyrimidinyl}-1-piperidinyl)-1-oxo-2-pentanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2R)-4-methyl-1-(4-{4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyrimidinyl}-1-piperidinyl)-1-oxo-2-pentanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-3-methyl-1-[[4-[4-methyl-6-[(5-methyl-2-thiazolyl)amino]-2-pyrimidinyl]-1-piperidinyl]carbonyl]butyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.572
Molar Refractivity: 138.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 233.21
ACD/KOC (pH 5.5): 831.85
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2616.92
ACD/KOC (pH 7.4): 9334.44
Polar Surface Area: 138 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 422.4±3.0 cm3

Click to predict properties on the Chemicalize site


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