288024 <common-name>8-cyclohex-3-en-1-yl-1,3-dimethyl-7h-purine-2,6-dione</common-name> <description>8-cyclohex-3-en-1-yl-1,3-dimethyl-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 C13H16N4O2 and an average molecular weight of 260.29 g/mol.</description> <cas>74039-68-2</cas> <pubchem-id>97207</pubchem-id> <chemical-formula>C13H16N4O2</chemical-formula> <weight>260.29</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">2026-08-28T00:45:42Z</created-at> <updated-at type="dateTime">2026-08-28T00:45:42Z</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>CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CCC=CC3</moldb-smiles> <moldb-formula>C13H16N4O2</moldb-formula> <moldb-inchi>InChI=1S/C13H16N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-4,8H,5-7H2,1-2H3,(H,14,15)</moldb-inchi> <moldb-inchikey>VUVQIGQQUJUTRY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">260.1273258</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</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>CHEM283917</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-cyclohex-3-en-1-yl-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>CED0239792</sync-id> <structure-inchikey>VUVQIGQQUJUTRY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000000000000000000000000000000000000000020008010000000002000008000000000000000040000000180000000000000080002000200000000000020100000002000000000000000000010000000000000000000000000000080000000020100000000000000000000108000000040000000000000200080005000000010000000000000000000200000000000000004000000000000080000000000100000000000000000000000002000000000000000000000000000000000000000008000000000004000000000000000000000000001000040000000000000000800000000000000820000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAFQAAAIABBgBgAAAAAQMHQCgAAAAD AwZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAgAKAAAAAMCB0AoAAAAAwMGQCgA AAADBAgAKAAAAAMCBgBgAAAAAQMHQDgAAAADAQMGQCgAAAADBAdAKAAAAAMD BgBgAAAAAwEGAGAAAAACAgYAYAAAAAICBgBoAAAAAwMBBgBoAAAAAwMBBgBg AAAAAgILAAEAAQJoDAIDaAwDBGgMBAUoAgQGaAwGB2gMBwgoAgYJAAMKaAwK C2gMCwxoDAsNAA0OAA4PAA8QABARCAIREgAHAWgMDAJoDBINAEIDAAAABgEH BgQDAgUKAwIMCwYODxAREg0XBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:01:12Z</structure-indexed-at> </compound>