68787 <common-name>Pyrimidine, 4,6-dichloro-2-methyl-5-nitro-</common-name> <description>Pyrimidine, 4,6-dichloro-2-methyl-5-nitro- belongs to the organic nitro compounds, a subclass of allyl-type 1,3-dipolar organic compounds within the organic compounds. It has the chemical formula C5H3Cl2N3O2 and an average molecular weight of 208.00 g/mol.</description> <cas>13162-43-1</cas> <pubchem-id>83192</pubchem-id> <chemical-formula>C5H3Cl2N3O2</chemical-formula> <weight>208</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">2026-04-03T13:27:00Z</created-at> <updated-at type="dateTime">2026-08-22T21:54:39Z</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>CC1=NC(Cl)=C(C(Cl)=N1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C5H3Cl2N3O2</moldb-formula> <moldb-inchi>InChI=1S/C5H3Cl2N3O2/c1-2-8-4(6)3(10(11)12)5(7)9-2/h1H3</moldb-inchi> <moldb-inchikey>OPXGPTXSLFZVCA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">208.0</moldb-average-mass> <moldb-mono-mass type="decimal">206.960232</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>75059</chemspider-id> <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>CHEM064680</chemdb-id> <dsstox-id>DTXSID4065367</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024170</susdat-id> <iupac>4,6-dichloro-2-methyl-5-nitropyrimidine</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">0</paper-count> <sync-id>CED0156093</sync-id> <structure-inchikey>OPXGPTXSLFZVCA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000000000000000000000000000000000000000000000000010000000002000000000000000000000000000000000000000040000400000000000000000000020000000000000001000000000400000000000000000000200000000000000000000000000000000000000000000000000000040000000000000000200000000000000001100000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000010040000002000000000000000000000000000000001000000008000000000000000001000000000000000000400</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������� �����@(������@(������� �����@(������ *������� *���ÿ����(�����������h���h������h���h������h�� �(���h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:41Z</structure-indexed-at> </compound>