293839 <common-name>8-butyl-1-methyl-3-(2-methylpropyl)-7h-purine-2,6-dione</common-name> <description>8-butyl-1-methyl-3-(2-methylpropyl)-7h-purine-2,6-dione belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. It is an organoheterocyclic compound with the formula C14H22N4O2 and an average molecular weight of 278.35 g/mol.</description> <cas>132560-09-9</cas> <pubchem-id>3076827</pubchem-id> <chemical-formula>C14H22N4O2</chemical-formula> <weight>278.35</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-28T09:19:56Z</created-at> <updated-at type="dateTime">2026-08-28T09:19:56Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCCCC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)C</moldb-smiles> <moldb-formula>C14H22N4O2</moldb-formula> <moldb-inchi>InChI=1S/C14H22N4O2/c1-5-6-7-10-15-11-12(16-10)18(8-9(2)3)14(20)17(4)13(11)19/h9H,5-8H2,1-4H3,(H,15,16)</moldb-inchi> <moldb-inchikey>OORTUCINFLBQQH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">278.174276</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM289732</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>8-butyl-1-methyl-3-(2-methylpropyl)-7h-purine-2,6-dione</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Imidazopyrimidines</klass> <subklass>Purines and purine derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0245328</sync-id> <structure-inchikey>OORTUCINFLBQQH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000900000000000000000000000000000000000000000000000001002000020000400000000002000000000000000000000000000000180000000000000080000010000000000000820000000002000000000000000000018000020200000000000000000000000000000000100000000010000000000000000000040000000000000200000004000000000000000020000041000200000000000000000000000000000080000000000100000000000000000000000002010000000000000000000000000000000000000008000000000004004000000000000000000000101000000000000010020000000000000000000000010000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`������@(������@(������@(������@(������@8�������@(�������(������@(������@(�������(������@(�������`�������`�������`�������`�������`��������������������h���h���h���h�� h� (� �h���h�� (���h������������������h���h�B����������� ���������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:05:37Z</structure-indexed-at> </compound>