ChemSpider 2D Image | N-(1-Acetyl-4-piperidinyl)-2-(dimethylamino)-4-methyl-N-[2-(4-morpholinyl)ethyl]-5-pyrimidinecarboxamide | C21H34N6O3

N-(1-Acetyl-4-piperidinyl)-2-(dimethylamino)-4-methyl-N-[2-(4-morpholinyl)ethyl]-5-pyrimidinecarboxamide

  • Molecular FormulaC21H34N6O3
  • Average mass418.533 Da
  • Monoisotopic mass418.269226 Da
  • ChemSpider ID24992293

More details:

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

5-Pyrimidinecarboxamide, N-(1-acetyl-4-piperidinyl)-2-(dimethylamino)-4-methyl-N-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
N-(1-Acetyl-4-piperidinyl)-2-(dimethylamino)-4-methyl-N-[2-(4-morpholinyl)ethyl]-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
N-(1-Acetyl-4-piperidinyl)-2-(dimethylamino)-4-methyl-N-[2-(4-morpholinyl)ethyl]-5-pyrimidinecarboxamide [ACD/IUPAC Name]
N-(1-Acétyl-4-pipéridinyl)-2-(diméthylamino)-4-méthyl-N-[2-(4-morpholinyl)éthyl]-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
N-(1-ACETYLPIPERIDIN-4-YL)-2-(DIMETHYLAMINO)-4-METHYL-N-[2-(MORPHOLIN-4-YL)ETHYL]PYRIMIDINE-5-CARBOXAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 650.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.4±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 114.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.97
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.65
ACD/KOC (pH 7.4): 49.06
Polar Surface Area: 82 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 341.1±5.0 cm3

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