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Home > Encyclopedia > 1,3-Dimethyl-8-(pyridin-4-yl)-1H-purine-2,6(3H,7H)-dione

1,3-Dimethyl-8-(pyridin-4-yl)-1H-purine-2,6(3H,7H)-dione

1,3-Dimethyl-8-(pyridin-4-yl)-1H-purine-2,6(3H,7H)-dione structure

1,3-Dimethyl-8-(pyridin-4-yl)-1H-purine-2,6(3H,7H)-dione 

structure
  • CAS No:

    1088-64-8

  • Formula:

    C12H11N5O2

  • Chemical Name:

    1,3-Dimethyl-8-(pyridin-4-yl)-1H-purine-2,6(3H,7H)-dione

  • Synonyms:

    8-gamma-Pyridyltheophylline;8-(4-Pyridyl)theophylline;8-gamma-Piridilteofillina [Italian];CHEMBL10790;Theophylline, 8-(4-pyridyl)-;8-gamma-Piridilteofillina;1,3-dimethyl-8-pyridin-4-yl-7H-purine-2,6-dione;8-(4-Pyridyl)theophyline;SCHEMBL6868854;CTK4A6219

1,3-Dimethyl-8-(pyridin-4-yl)-1H-purine-2,6(3H,7H)-dione Basic Attributes

257.253

257.091

DTXSID70148746

2933990090

Characteristics

82.2

1.1

1.417g/cm3

560.6ºC at 760mmHg

292.9ºC

1.645

1.34E-12mmHg at 25°C

Computed Properties

Molecular Weight:257.25
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:257.09127461
Monoisotopic Mass:257.09127461
Topological Polar Surface Area:82.2
Heavy Atom Count:19
Complexity:396
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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