ChemSpider 2D Image | (E)-2,4-Diamino-6-(4-Methylstyryl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile | C16H14N6

(E)-2,4-Diamino-6-(4-Methylstyryl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile

  • Molecular FormulaC16H14N6
  • Average mass290.323 Da
  • Monoisotopic mass290.127991 Da
  • ChemSpider ID35033897
  • Double-bond stereo - Double-bond stereo


More details:






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

(E)-2,4-Diamino-6-(4-Methylstyryl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
2,4-Diamino-6-[(E)-2-(4-methylphenyl)vinyl]-7H-pyrrolo[2,3-d]pyrimidin-5-carbonitril [German] [ACD/IUPAC Name]
2,4-Diamino-6-[(E)-2-(4-methylphenyl)vinyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [ACD/IUPAC Name]
2,4-Diamino-6-[(E)-2-(4-méthylphényl)vinyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2,4-diamino-6-[(E)-2-(4-methylphenyl)ethenyl]- [ACD/Index Name]
IZ9

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.745
Molar Refractivity: 84.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 9.91
ACD/KOC (pH 5.5): 99.04
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 73.91
ACD/KOC (pH 7.4): 738.54
Polar Surface Area: 117 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 93.1±5.0 dyne/cm
Molar Volume: 207.5±5.0 cm3

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