281699 <common-name>8-butyl-1,3-dimethyl-7h-purine-2,6-dione</common-name> <description>8-butyl-1,3-dimethyl-7h-purine-2,6-dione belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. This organoheterocyclic compound has the formula C11H16N4O2 and an average molecular weight of 236.27 g/mol.</description> <cas>35873-40-6</cas> <pubchem-id>95025</pubchem-id> <chemical-formula>C11H16N4O2</chemical-formula> <weight>236.27</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">2026-08-27T17:04:07Z</created-at> <updated-at type="dateTime">2026-08-27T17:04:07Z</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)N2C)C</moldb-smiles> <moldb-formula>C11H16N4O2</moldb-formula> <moldb-inchi>InChI=1S/C11H16N4O2/c1-4-5-6-7-12-8-9(13-7)14(2)11(17)15(3)10(8)16/h4-6H2,1-3H3,(H,12,13)</moldb-inchi> <moldb-inchikey>VPISOLDSBFMXDM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">236.1273258</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</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>CHEM277592</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-1,3-dimethyl-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>CED0233657</sync-id> <structure-inchikey>VPISOLDSBFMXDM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000900000000000000000000000000000000000000000000000000002000020000000000000002000008000000000000000000000000180000000000000080000010000000000000820000000002000000000000000000010000020000000000000000000000000000000000100000000010000000000008000000040000000000000200000004000000000000000000000041000200000000000000000000000000000080000000000100000000000000000000000002000000000000000000000000000000000000000008000000000004004000000000000000000000001000000000000010000000000000000000000000000000000</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">2026-09-19T04:56:41Z</structure-indexed-at> </compound>