ChemSpider 2D Image | {1-[6-(1H-Imidazol-1-yl)-4-pyrimidinyl]-3-azetidinyl}[4-(2-pyrimidinyl)-1-piperazinyl]methanone | C19H21N9O

{1-[6-(1H-Imidazol-1-yl)-4-pyrimidinyl]-3-azetidinyl}[4-(2-pyrimidinyl)-1-piperazinyl]methanone

  • Molecular FormulaC19H21N9O
  • Average mass391.430 Da
  • Monoisotopic mass391.186920 Da
  • ChemSpider ID58252667

More details:

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

{1-[6-(1H-Imidazol-1-yl)-4-pyrimidinyl]-3-azetidinyl}[4-(2-pyrimidinyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
{1-[6-(1H-Imidazol-1-yl)-4-pyrimidinyl]-3-azetidinyl}[4-(2-pyrimidinyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
{1-[6-(1H-Imidazol-1-yl)-4-pyrimidinyl]-3-azétidinyl}[4-(2-pyrimidinyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [1-[6-(1H-imidazol-1-yl)-4-pyrimidinyl]-3-azetidinyl][4-(2-pyrimidinyl)-1-piperazinyl]- [ACD/Index Name]
(1-(6-(1H-imidazol-1-yl)pyrimidin-4-yl)azetidin-3-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone
2034477-78-4 [RN]
4-(1H-imidazol-1-yl)-6-{3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]azetidin-1-yl}pyrimidine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 740.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.6±35.7 °C
Index of Refraction: 1.783
Molar Refractivity: 109.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.49
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.79
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 40.02
Polar Surface Area: 96 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 71.4±7.0 dyne/cm
Molar Volume: 259.7±7.0 cm3

Click to predict properties on the Chemicalize site


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