ChemSpider 2D Image | 1-[(2S,5R)-2-Methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2-propen-1-one | C15H19N5O

1-[(2S,5R)-2-Methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2-propen-1-one

  • Molecular FormulaC15H19N5O
  • Average mass285.344 Da
  • Monoisotopic mass285.158966 Da
  • ChemSpider ID59718512
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1-[(2S,5R)-2-Methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2-propen-1-on [German] [ACD/IUPAC Name]
1-[(2S,5R)-2-Methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2-propen-1-one [ACD/IUPAC Name]
1-[(2S,5R)-2-Méthyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-pipéridinyl]-2-propén-1-one [French] [ACD/IUPAC Name]
1792180-81-4 [RN]
2-Propen-1-one, 1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]- [ACD/Index Name]
1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one
1792180-81-4 (free base)
compound 11 [PMID: 28139931]
example 5 [WO2015083028]
MFCD30343868
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2OYE00PC25 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 82.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 34.79
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.03
ACD/KOC (pH 7.4): 152.69
Polar Surface Area: 74 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 224.2±3.0 cm3

Click to predict properties on the Chemicalize site






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