Chemical Properties of 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl- (CAS 6136-37-4)

1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-

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InChI
InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)
InChI Key
MVOYJPOZRLFTCP-UHFFFAOYSA-N
Formula
C6H6N4O2
SMILES
Cn1c(=O)[nH]c2nc[nH]c2c1=O
Molecular Weight1
166.14
CAS
6136-37-4
Other Names
  • Xanthine, 1-methyl-
  • 1-Methylxanthine
  • 2,6-Dihydroxy-1-methylpurine
  • 3,7-dihydro-1-methyl-1H-purine-2,6-dione
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Physical Properties

Property Value Unit Source
log10WS -1.61 Crippen Calculated Property
logPoct/wat -2.014 Crippen Calculated Property
McVol 108.140 ml/mol McGowan Calculated Property

Similar Compounds

1-methyluric acid. Uric acid, 1-methyl. Theophylline. Uric acid, 1,7-dimethyl. Uric acid, 3-methyl. 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3-dimethyl-. Uric acid, 3,7-dimethyl. Theobromine. 1,3,7-Trimethyluric acid. 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-. 1H-Purine-2,6-dione, 3,7-dihydro-8-(hydroxymethyl)-1,3-dimethyl-. Morphinan, 3-methoxy-. Uridine, 2',3',5'-tris-O-cyclotetramethylene-tertbutylsilyl. Uridine, 2',3',5'-tris(O-TMIPSi). Benzofuran-5-propanol, 2,3-dihydro-3-hydroxymethyl-7-methoxy-2-(4-hydroxy-3-methoxyphenyl), tris-TMS.

Find more compounds similar to 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-.

Sources

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