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1,3-dimethyl-8-(trifluoromethyl)-7H-purine-2,6-dione

1,3-dimethyl-8-(trifluoromethyl)-7H-purine-2,6-dione structure

CAS No:
57281-12-6
Formula:
C8H7F3N4O2
Chemical Name:
1,3-dimethyl-8-(trifluoromethyl)-7H-purine-2,6-dione
Synonyms:
1,3-dimethyl-8-(trifluoromethyl)-3,7-dihydro-1H-purine-2,6-dione;57281-12-6;8-trifluoromethyltheophylline;NSC22602;1,3-dimethyl-8-(trifluoromethyl)-7H-purine-2,6-dione;8-(Trifluoromethyl)theophyline;CHEMBL314802;SCHEMBL1271780;SCHEMBL12900060;DTXSID20972790;ZINC8581260;NSC-22602;1,3-dimethyl-8-(trifluoromethyl)-1H-purine-2,6(3H, 7H)-dione;1,3-Dimethyl-8-(trifluoromethyl)-3,9-dihydro-1H-purine-2,6-dione;1H-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(trifluoromethyl)-

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1,3-dimethyl-8-(trifluoromethyl)-7H-purine-2,6-dione Basic Attributes

Molecular Weight：

248.16 g/mol

Exact Mass：

248.05210997 g/mol

NSC Number：

22602

Characteristics

PSA：

69.3 Å²

Computed Properties

Molecular Weight:248.16
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Exact Mass:248.05210997
Monoisotopic Mass:248.05210997
Topological Polar Surface Area:69.3
Heavy Atom Count:17
Complexity:372
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-dimethyl-8-(trifluoromethyl)-7H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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