8-Bromo-3-methyl-7-(1-phenylethyl)purine-2,6-dione

Base Information

• Chemical Name: 8-Bromo-3-methyl-7-(1-phenylethyl)purine-2,6-dione
• CAS No.: 101071-98-1
• Molecular Formula: C14H13BrN4O2
• European Community (EC) Number: 633-511-8
• DSSTox Substance ID: DTXSID501320351
• ChEMBL ID: CHEMBL1575185
• Mol file: 101071-98-1.mol

Synonyms:101071-98-1;8-bromo-3-methyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione;8-bromo-3-methyl-7-(1-phenylethyl)purine-2,6-dione;BAS 00162583;Oprea1_489065;Oprea1_628372;MLS001209225;CHEMBL1575185;DTXSID501320351;HMS2848J17;8-Bromo-3-methyl-7-(1-phenyl-ethyl)-3,7-dihydro-purine-2,6-dione;STL147767;8-bromo-3-methyl-7-(1-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione;AKOS000576473;AKOS005747675;AKOS024303892;SMR000505108;SR-01000358408;SR-01000358408-1;8-bromo-6-hydroxy-3-methyl-7-(1-phenylethyl)-3,7-dihydro-2H-purin-2-one

Chemical Property of 8-Bromo-3-methyl-7-(1-phenylethyl)purine-2,6-dione

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 348.02219
• Heavy Atom Count: 21
• Complexity: 441

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)N2C3=C(N=C2Br)N(C(=O)NC3=O)C

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