328263 <common-name>1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,7-dimethylpurine-2,6-dione</common-name> <description>1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,7-dimethylpurine-2,6-dione is a chemical compound with the formula C21H27FN6O2. It has an average molecular weight of 414.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3071352</pubchem-id> <chemical-formula>C21H27FN6O2</chemical-formula> <weight>414.5</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">2026-08-30T08:06:29Z</created-at> <updated-at type="dateTime">2026-08-30T08:06:29Z</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>CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCN3CCN(CC3)C4=CC=C(C=C4)F</moldb-smiles> <moldb-formula>C21H27FN6O2</moldb-formula> <moldb-inchi>InChI=1S/C21H27FN6O2/c1-24-15-23-19-18(24)20(29)28(21(30)25(19)2)10-4-3-9-26-11-13-27(14-12-26)17-7-5-16(22)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3</moldb-inchi> <moldb-inchikey>XTUYDBAQOPKSQB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">414.2179523</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</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>CHEM324156</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>1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3,7-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>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0278855</sync-id> <structure-inchikey>XTUYDBAQOPKSQB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000002080200000000000000000000000000000000000400000000000000000002000000000000000200000010000000000000100000000008000000000000008000000000000000000002400000001001000000000000000001000000020000000000000000000000400000002090000000000000000000000800000004000000000000000000000400000000000001002000000000000000000000000000000000020000008000004600000008008000000a000000804000004000000000000000000080000000000020000008000000000000200000000010000000040000000000040000000012000800000000000000000000000000000</structure-fingerprint> 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