ChemSpider 2D Image | 6-(1-{[2-(4-Methyl-1-piperazinyl)-4-pyrimidinyl]methyl}-4-piperidinyl)-2-(2-pyridinyl)-4-pyrimidinol | C24H30N8O

6-(1-{[2-(4-Methyl-1-piperazinyl)-4-pyrimidinyl]methyl}-4-piperidinyl)-2-(2-pyridinyl)-4-pyrimidinol

  • Molecular FormulaC24H30N8O
  • Average mass446.548 Da
  • Monoisotopic mass446.254272 Da
  • ChemSpider ID29895779

More details:

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

4-Pyrimidinol, 6-[1-[[2-(4-methyl-1-piperazinyl)-4-pyrimidinyl]methyl]-4-piperidinyl]-2-(2-pyridinyl)- [ACD/Index Name]
6-(1-{[2-(4-Methyl-1-piperazinyl)-4-pyrimidinyl]methyl}-4-piperidinyl)-2-(2-pyridinyl)-4-pyrimidinol [German] [ACD/IUPAC Name]
6-(1-{[2-(4-Methyl-1-piperazinyl)-4-pyrimidinyl]methyl}-4-piperidinyl)-2-(2-pyridinyl)-4-pyrimidinol [ACD/IUPAC Name]
6-(1-{[2-(4-Méthyl-1-pipérazinyl)-4-pyrimidinyl]méthyl}-4-pipéridinyl)-2-(2-pyridinyl)-4-pyrimidinol [French] [ACD/IUPAC Name]
6-(1-{[2-(4-METHYLPIPERAZIN-1-YL)PYRIMIDIN-4-YL]METHYL}PIPERIDIN-4-YL)-2-(PYRIDIN-2-YL)PYRIMIDIN-4-OL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 595.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 314.0±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.62
Polar Surface Area: 94 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 353.2±3.0 cm3

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