312936 <common-name>5-butyl-1,3-dimethyl-6-phenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-dione</common-name> <description>5-butyl-1,3-dimethyl-6-phenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-dione is a chemical compound with the formula C18H21N3O2. It has an average molecular weight of 311.40 g/mol.</description> <cas>53681-32-6</cas> <pubchem-id>3041228</pubchem-id> <chemical-formula>C18H21N3O2</chemical-formula> <weight>311.4</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">2026-08-29T09:39:29Z</created-at> <updated-at type="dateTime">2026-08-29T09:39:29Z</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>CCCCC1=C(NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3</moldb-smiles> <moldb-formula>C18H21N3O2</moldb-formula> <moldb-inchi>InChI=1S/C18H21N3O2/c1-4-5-11-13-14-16(20(2)18(23)21(3)17(14)22)19-15(13)12-9-7-6-8-10-12/h6-10,19H,4-5,11H2,1-3H3</moldb-inchi> <moldb-inchikey>XHENNCPEXMMHDG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">311.1633769</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM308829</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>5-butyl-1,3-dimethyl-6-phenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-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>Pyrroles</klass> <subklass>Substituted pyrroles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0263859</sync-id> <structure-inchikey>XHENNCPEXMMHDG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000100000000000000000000000000000000006000020000000000000000004008000000000000000000000000080000000000000080000010000000000000020040000000000000000008000010010000020400000000000000800000000000000000100000000010000000000100000000040000000800000200000004000800000000100000200001000200000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000002000004200000000020000000000000000000040000000010000000000000000008000000000002000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGQCgAAAADBAZAKAAAAAMEB0A4AAAAAwEDBkAo AAAAAwQGQCgAAAADBAZAKAAAAAMECAAoAAAAAwIHQCgAAAADAwZAKAAAAAME CAAoAAAAAwIHQCgAAAADAwYAYAAAAAEDBgBgAAAAAQMGQCgAAAADBAZAaAAA AAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQsAAQAB AgACAwADBAAEBWgMBQZoDAYHaAwHCGgMCAloDAkKKAIJC2gMCwxoDAwNKAIM DmgMDg8ACxAABREgERJoDBITaAwTFGgMFBVoDBUWaAwIBGgMDgdoDBYRaAxC AwAAAAUEBQYHCAYJCwwOBwgGEhMUFRYRFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:47Z</structure-indexed-at> </compound>