ChemSpider 2D Image | N-[3-(1H-Imidazol-1-yl)propyl]-4-(4-morpholinyl)-5-nitro-6-[(E)-2-phenylvinyl]-2-pyrimidinamine | C22H25N7O3

N-[3-(1H-Imidazol-1-yl)propyl]-4-(4-morpholinyl)-5-nitro-6-[(E)-2-phenylvinyl]-2-pyrimidinamine

  • Molecular FormulaC22H25N7O3
  • Average mass435.479 Da
  • Monoisotopic mass435.201874 Da
  • ChemSpider ID28611300

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Pyrimidinamine, N-[3-(1H-imidazol-1-yl)propyl]-4-(4-morpholinyl)-5-nitro-6-[(E)-2-phenylethenyl]- [ACD/Index Name]
N-[3-(1H-Imidazol-1-yl)propyl]-4-(4-morpholinyl)-5-nitro-6-[(E)-2-phenylvinyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
N-[3-(1H-Imidazol-1-yl)propyl]-4-(4-morpholinyl)-5-nitro-6-[(E)-2-phenylvinyl]-2-pyrimidinamine [ACD/IUPAC Name]
N-[3-(1H-Imidazol-1-yl)propyl]-4-(4-morpholinyl)-5-nitro-6-[(E)-2-phénylvinyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
(3-Imidazol-1-yl-propyl)-(4-morpholin-4-yl-5-nitro-6-styryl-pyrimidin-2-yl)-amine
N-(3-imidazol-1-ylpropyl)-4-morpholin-4-yl-5-nitro-6-[(E)-2-phenylethenyl]pyrimidin-2-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: 739.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 401.1±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 120.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 6.28
ACD/KOC (pH 5.5): 49.68
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 142.40
ACD/KOC (pH 7.4): 1126.63
Polar Surface Area: 114 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 324.7±7.0 cm3

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