365075 <common-name>1,3-diethyl-6-methyl-5-nitropyrimidine-2,4-dione</common-name> <description>1,3-diethyl-6-methyl-5-nitropyrimidine-2,4-dione is a chemical compound with the formula C9H13N3O4. It has an average molecular weight of 227.22 g/mol.</description> <cas>90648-82-1</cas> <pubchem-id>4280150</pubchem-id> <chemical-formula>C9H13N3O4</chemical-formula> <weight>227.22</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">2026-09-01T15:30:05Z</created-at> <updated-at type="dateTime">2026-09-01T15:30:05Z</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>CCN1C(=C(C(=O)N(C1=O)CC)[N+](=O)[O-])C</moldb-smiles> <moldb-formula>C9H13N3O4</moldb-formula> <moldb-inchi>InChI=1S/C9H13N3O4/c1-4-10-6(3)7(12(15)16)8(13)11(5-2)9(10)14/h4-5H2,1-3H3</moldb-inchi> <moldb-inchikey>DQAWDNPKOKNXLO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">227.0906059</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.5</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>CHEM360968</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>1,3-diethyl-6-methyl-5-nitropyrimidine-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>Organic 1,3-dipolar compounds</superklass> <klass>Allyl-type 1,3-dipolar organic compounds</klass> <subklass>Organic nitro compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0315035</sync-id> <structure-inchikey>DQAWDNPKOKNXLO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000c00000000000000000040000000000000000000000000000000002000020000000000080000000000000000000004000000000400080000000000000000100000000000000000020000000000000001000000000400010000000200000000200200000000000000000000100000000040000000000000000000040000000000000000000000000000000001000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000000020000000000000000000000000000000000000000000000001000000000000000000400</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAC AgdAKAAAAAMDBkAoAAAAAwQGQCgAAAADBAZAKAAAAAMECAAoAAAAAwIHQCgA AAADAwZAKAAAAAMECAAoAAAAAwIGAGAAAAACAgYAYAAAAAEDByAqAAAAAQME CAAoAAAAAwIIICoAAAD/AwEGAGAAAAABAwsAAQABAgACA2gMAwRoDAQFaAwF BigCBQdoDAcIaAwICSgCBwoACgsABAwgDA0oAgwOIAMPAAgCaAxCAQAAAAYC CAcFBAMXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:16Z</structure-indexed-at> </compound>