ChemSpider 2D Image | 4-Amino-6-(4-{1-[2-(1-azetidinyl)ethyl]-4-(3-thienyl)-1H-imidazol-2-yl}-1-piperidinyl)-5-pyrimidinecarbonitrile | C22H26N8S

4-Amino-6-(4-{1-[2-(1-azetidinyl)ethyl]-4-(3-thienyl)-1H-imidazol-2-yl}-1-piperidinyl)-5-pyrimidinecarbonitrile

  • Molecular FormulaC22H26N8S
  • Average mass434.560 Da
  • Monoisotopic mass434.200104 Da
  • ChemSpider ID61720255

More details:

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

4-Amino-6-(4-{1-[2-(1-azetidinyl)ethyl]-4-(3-thienyl)-1H-imidazol-2-yl}-1-piperidinyl)-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-Amino-6-(4-{1-[2-(1-azetidinyl)ethyl]-4-(3-thienyl)-1H-imidazol-2-yl}-1-piperidinyl)-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-Amino-6-(4-{1-[2-(1-azétidinyl)éthyl]-4-(3-thiényl)-1H-imidazol-2-yl}-1-pipéridinyl)-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-amino-6-[4-[1-[2-(1-azetidinyl)ethyl]-4-(3-thienyl)-1H-imidazol-2-yl]-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 734.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.1±32.9 °C
Index of Refraction: 1.769
Molar Refractivity: 123.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 3.11
ACD/KOC (pH 7.4): 28.70
Polar Surface Area: 128 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 298.5±7.0 cm3

Click to predict properties on the Chemicalize site


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