ChemSpider 2D Image | 2-(1-{(4-Bromobenzyl)[2-(methylamino)ethyl]amino}propyl)-3-(2-pyrimidinylmethyl)furo[2,3-d]pyrimidin-4(3H)-one | C24H27BrN6O2

2-(1-{(4-Bromobenzyl)[2-(methylamino)ethyl]amino}propyl)-3-(2-pyrimidinylmethyl)furo[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC24H27BrN6O2
  • Average mass511.414 Da
  • Monoisotopic mass510.137878 Da
  • ChemSpider ID8393418

More details:

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

2-(1-{(4-Brombenzyl)[2-(methylamino)ethyl]amino}propyl)-3-(2-pyrimidinylmethyl)furo[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
2-(1-{(4-Bromobenzyl)[2-(methylamino)ethyl]amino}propyl)-3-(2-pyrimidinylmethyl)furo[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
2-(1-{(4-Bromobenzyl)[2-(méthylamino)éthyl]amino}propyl)-3-(2-pyrimidinylméthyl)furo[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Furo[2,3-d]pyrimidin-4(3H)-one, 2-[1-[[(4-bromophenyl)methyl][2-(methylamino)ethyl]amino]propyl]-3-(2-pyrimidinylmethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 613.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.7±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 132.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.90
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.88
Polar Surface Area: 87 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 359.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement