ChemSpider 2D Image | N-(4-Iodobenzyl)-6-(1-pyrrolidinyl)-4-pyrimidinecarboxamide | C16H17IN4O

N-(4-Iodobenzyl)-6-(1-pyrrolidinyl)-4-pyrimidinecarboxamide

  • Molecular FormulaC16H17IN4O
  • Average mass408.237 Da
  • Monoisotopic mass408.044708 Da
  • ChemSpider ID39497396

More details:

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

4-Pyrimidinecarboxamide, N-[(4-iodophenyl)methyl]-6-(1-pyrrolidinyl)- [ACD/Index Name]
N-(4-Iodbenzyl)-6-(1-pyrrolidinyl)-4-pyrimidincarboxamid [German] [ACD/IUPAC Name]
N-(4-Iodobenzyl)-6-(1-pyrrolidinyl)-4-pyrimidinecarboxamide [ACD/IUPAC Name]
N-(4-Iodobenzyl)-6-(1-pyrrolidinyl)-4-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
N-(4-iodobenzyl)-6-(pyrrolidin-1-yl)pyrimidine-4-carboxamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 569.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 297.9±30.1 °C
Index of Refraction: 1.661
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 51.00
ACD/KOC (pH 5.5): 579.81
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 51.23
ACD/KOC (pH 7.4): 582.49
Polar Surface Area: 58 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 253.5±3.0 cm3

Click to predict properties on the Chemicalize site


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