Chemical Properties of Allopurinol di-methyl derivative (CAS 5334-54-3)

Allopurinol di-methyl derivative

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InChI
InChI=1S/C7H8N4O/c1-10-4-8-6-5(7(10)12)3-9-11(6)2/h3-4H,1-2H3
InChI Key
PVQKQWMEXZGTMR-UHFFFAOYSA-N
Formula
C7H8N4O
SMILES
Cn1cnc2c(cnn2C)c1=O
Molecular Weight1
164.16
CAS
5334-54-3
Other Names
  • Allopurinol, dimethyl
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Physical Properties

Property Value Unit Source
log10WS -4.81 Crippen Calculated Property
logPoct/wat -0.333 Crippen Calculated Property
McVol 116.360 ml/mol McGowan Calculated Property

Similar Compounds

GA3-13-O-glucoside, permethylated. Aflatoxin B2. (-)-2-Aminobutan-1-ol, ferroceneboronate derivative. cis-Zeatin riboside, permethylated. [2H5]trans-Zeatin riboside, permethylated. Dimetindene M (nor, OH), acetylated. GA7-3«beta»-O-glucoside, permethylated. GA3-3«beta»-O-glucoside, permethylated. Erythromycin, ethyl carbonate. Carteolol, PFB-TMS. 5-Methoxytryptophan, ethoxycarbonylated, TBDMS. Dimetindene M (nor), acetylated. Tryptophan, N-acetyl-5-methoxy, TMS. azadirachtin. Zinc octaethylporphyrin chloride.

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Sources

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