ChemSpider 2D Image | 2-Methyl-4-(3-{4-[3-(1H-pyrazol-1-yl)-1-azetidinyl]-1-piperidinyl}phenyl)pyrimidine | C22H26N6

2-Methyl-4-(3-{4-[3-(1H-pyrazol-1-yl)-1-azetidinyl]-1-piperidinyl}phenyl)pyrimidine

  • Molecular FormulaC22H26N6
  • Average mass374.482 Da
  • Monoisotopic mass374.221893 Da
  • ChemSpider ID22523353

More details:

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

2-Methyl-4-(3-{4-[3-(1H-pyrazol-1-yl)-1-azetidinyl]-1-piperidinyl}phenyl)pyrimidin [German] [ACD/IUPAC Name]
2-Methyl-4-(3-{4-[3-(1H-pyrazol-1-yl)-1-azetidinyl]-1-piperidinyl}phenyl)pyrimidine [ACD/IUPAC Name]
2-Méthyl-4-(3-{4-[3-(1H-pyrazol-1-yl)-1-azétidinyl]-1-pipéridinyl}phényl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 2-methyl-4-[3-[4-[3-(1H-pyrazol-1-yl)-1-azetidinyl]-1-piperidinyl]phenyl]- [ACD/Index Name]
2-METHYL-4-(3-{4-[3-(1H-PYRAZOL-1-YL)AZETIDIN-1-YL]PIPERIDIN-1-YL}PHENYL)PYRIMIDINE
2-METHYL-4-(3-{4-[3-(PYRAZOL-1-YL)AZETIDIN-1-YL]PIPERIDIN-1-YL}PHENYL)PYRIMIDINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 582.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.1±30.1 °C
Index of Refraction: 1.701
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 33.85
Polar Surface Area: 50 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 289.7±7.0 cm3

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