289445 <common-name>8-(1-hydroxybutan-2-ylamino)-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione</common-name> <description>8-(1-hydroxybutan-2-ylamino)-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. This organoheterocyclic compound has the formula C13H21N5O4 and an average molecular weight of 311.34 g/mol.</description> <cas>119256-85-8</cas> <pubchem-id>363687</pubchem-id> <chemical-formula>C13H21N5O4</chemical-formula> <weight>311.34</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">2026-08-28T02:55:46Z</created-at> <updated-at type="dateTime">2026-08-28T02:55:46Z</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>CCC(CO)NC1=NC2=C(N1CCO)C(=O)N(C(=O)N2C)C</moldb-smiles> <moldb-formula>C13H21N5O4</moldb-formula> <moldb-inchi>InChI=1S/C13H21N5O4/c1-4-8(7-20)14-12-15-10-9(18(12)5-6-19)11(21)17(3)13(22)16(10)2/h8,19-20H,4-7H2,1-3H3,(H,14,15)</moldb-inchi> <moldb-inchikey>GPEWINMGNPPOCM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">311.1593542</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.6</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>CHEM285338</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-(1-hydroxybutan-2-ylamino)-7-(2-hydroxyethyl)-1,3-dimethylpurine-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>CED0241137</sync-id> <structure-inchikey>GPEWINMGNPPOCM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000040000000000040002000000000020000002400020000000000000002000008000000000000000004020000480000000000000080000000000000000000020000000002000000000000000000010000000210000000000000000000008000100000100000002000000000000008000000040000002000000000000004080000000000000000000000000200000000000100000010000000000080000000000000080000000000000000000000000800000000000000000000040000000000000008000000000000000000000000000000000000001000001000000000000000400000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAFwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAMBBgBgAAAAAgIIAGAAAAABAQcAaAAAAAMCAQZAKAAAAAMEB0Ao AAAAAwMGQCgAAAADBAZAKAAAAAMEB0AoAAAAAwMGAGAAAAACAgYAYAAAAAIC CABgAAAAAQEGQCgAAAADBAgAKAAAAAMCB0AoAAAAAwMGQCgAAAADBAgAKAAA AAMCB0AoAAAAAwMGAGAAAAABAwYAYAAAAAEDCwABAAECAAIDAAMEAAIFAAUG IAYHaAwHCGgMCAloDAkKaAwKCwALDAAMDQAJDmgMDg8oAg4QaAwQEWgMERIo AhETaAwTFAAQFQAKBmgMEwhoDEICAAAABQYHCAkKBg4QERMICRcEAAAAAAAA ABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:02:20Z</structure-indexed-at> </compound>