ChemSpider 2D Image | 5-Bromo-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-pyrrolidinyl]-2-pyrimidinamine | C15H16BrN7

5-Bromo-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-pyrrolidinyl]-2-pyrimidinamine

  • Molecular FormulaC15H16BrN7
  • Average mass374.238 Da
  • Monoisotopic mass373.065063 Da
  • ChemSpider ID76769416

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyrimidinamine, 5-bromo-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-pyrrolidinyl]- [ACD/Index Name]
5-Brom-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-pyrrolidinyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-Bromo-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-pyrrolidinyl]-2-pyrimidinamine [ACD/IUPAC Name]
5-Bromo-N-méthyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-pyrrolidinyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 599.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.6±32.9 °C
Index of Refraction: 1.744
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 7.55
ACD/KOC (pH 5.5): 97.54
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.30
ACD/KOC (pH 7.4): 404.59
Polar Surface Area: 74 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 86.6±3.0 dyne/cm
Molar Volume: 229.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement