1,7-dimethylxanthine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 32
Total Number of Articles : 84
PubChem 4687
Molecular Formula

C7H8N4O2

SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2)C

InChI

InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)

synonyms
  • paraxanthine
  • 1,7-Dimethylxanthine
  • 611-59-6
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Properties
Property Value
MW 180.16 g/mol
HBD 1
HBA 3
Rotatable Bond Count 0
Exact Mass 180.06472551 g/mol
Monoisotopic Mass 180.06472551 g/mol
Heavy Atom Count 13
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 267
xlogp -0.2
Topological Polar Surface Area 67.2