ChemSpider 2D Image | N-(4-Iodophenyl)-2-(2-methoxyethyl)-6-(6-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-4-pyrimidinamine | C25H26IN5O2

N-(4-Iodophenyl)-2-(2-methoxyethyl)-6-(6-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-4-pyrimidinamine

  • Molecular FormulaC25H26IN5O2
  • Average mass555.411 Da
  • Monoisotopic mass555.113098 Da
  • ChemSpider ID121414219

More details:

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

4-Pyrimidinamine, N-(4-iodophenyl)-2-(2-methoxyethyl)-6-(1,3,4,5-tetrahydro-6-methoxy-2H-pyrido[4,3-b]indol-2-yl)- [ACD/Index Name]
N-(4-Iodophenyl)-2-(2-methoxyethyl)-6-(6-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-4-pyrimidinamine [ACD/IUPAC Name]
N-(4-Iodophényl)-2-(2-méthoxyéthyl)-6-(6-méthoxy-1,3,4,5-tétrahydro-2H-pyrido[4,3-b]indol-2-yl)-4-pyrimidinamine [French] [ACD/IUPAC Name]
N-(4-Iodphenyl)-2-(2-methoxyethyl)-6-(6-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-4-pyrimidinamin [German] [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: 696.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 374.9±31.5 °C
Index of Refraction: 1.709
Molar Refractivity: 139.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1048.21
ACD/KOC (pH 5.5): 3055.59
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5796.15
ACD/KOC (pH 7.4): 16896.08
Polar Surface Area: 75 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 358.2±3.0 cm3

Click to predict properties on the Chemicalize site


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