1,3-dimethyl-8-(pyridin-3-ylmethyl)-7H-purine-2,6-dione
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1,3-dimethyl-8-(pyridin-3-ylmethyl)-7H-purine-2,6-dione
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CAS No:
28345-99-5
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Formula:
C13H13N5O2
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Chemical Name:
1,3-dimethyl-8-(pyridin-3-ylmethyl)-7H-purine-2,6-dione
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Synonyms:
8-(3-Pyridylmethyl)theophylline; 1,3-dimethyl-8-pyridin-3-ylmethyl-3,7(9)-dihydro-purine-2,6-dione; Theophylline,8-(3-pyridylmethyl); (Pyridyl-3' methyl)-8 theophylline; NV 4; (Pyridyl-3'-methyl)-8-theophyllin; (Pyridyl-3' methyl)-8 theophylline [French];Expand
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CAS No:
1,3-dimethyl-8-(pyridin-3-ylmethyl)-7H-purine-2,6-dione Basic Attributes
271.27500
271.10692467 g/mol
2933990090
Computed Properties
Molecular Weight:271.27
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:271.10692467
Monoisotopic Mass:271.10692467
Topological Polar Surface Area:82.2
Heavy Atom Count:20
Complexity:416
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 1,3-dimethyl-8-(pyridin-3-ylmethyl)-7H-purine-2,6-dione
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