ChemSpider 2D Image | [3-({4-(4-Methyl-1-piperazinyl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]-2-pyrimidinyl}methyl)-1-piperidinyl](phenyl)methanone | C26H34N8O

[3-({4-(4-Methyl-1-piperazinyl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]-2-pyrimidinyl}methyl)-1-piperidinyl](phenyl)methanone

  • Molecular FormulaC26H34N8O
  • Average mass474.601 Da
  • Monoisotopic mass474.285553 Da
  • ChemSpider ID60510935

More details:

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

[3-({4-(4-Methyl-1-piperazinyl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]-2-pyrimidinyl}methyl)-1-piperidinyl](phenyl)methanon [German] [ACD/IUPAC Name]
[3-({4-(4-Methyl-1-piperazinyl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]-2-pyrimidinyl}methyl)-1-piperidinyl](phenyl)methanone [ACD/IUPAC Name]
[3-({4-(4-Méthyl-1-pipérazinyl)-6-[(3-méthyl-1H-pyrazol-5-yl)amino]-2-pyrimidinyl}méthyl)-1-pipéridinyl](phényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[[4-(4-methyl-1-piperazinyl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]-2-pyrimidinyl]methyl]-1-piperidinyl]phenyl- [ACD/Index Name]
2-[(1-BENZOYLPIPERIDIN-3-YL)METHYL]-N-(3-METHYL-1H-PYRAZOL-5-YL)-6-(4-METHYLPIPERAZIN-1-YL)PYRIMIDIN-4-AMINE
2-[(1-BENZOYLPIPERIDIN-3-YL)METHYL]-N-(5-METHYL-2H-PYRAZOL-3-YL)-6-(4-METHYLPIPERAZIN-1-YL)PYRIMIDIN-4-AMINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.4±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 136.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 43.81
ACD/KOC (pH 7.4): 386.83
Polar Surface Area: 93 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 376.5±3.0 cm3

Click to predict properties on the Chemicalize site


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