292735 <common-name>3-(3-chlorophenyl)-4,6,6-trimethyl-2-methylsulfanyl-5h-pyrimidin-4-ol</common-name> <description>3-(3-chlorophenyl)-4,6,6-trimethyl-2-methylsulfanyl-5h-pyrimidin-4-ol belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C14H19ClN2OS and an average molecular weight of 298.80 g/mol.</description> <cas nil="true"/> <pubchem-id>3056045</pubchem-id> <chemical-formula>C14H19ClN2OS</chemical-formula> <weight>298.8</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">2026-08-28T08:01:54Z</created-at> <updated-at type="dateTime">2026-08-28T08:01:54Z</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(CC(N(C(=N1)SC)C2=CC(=CC=C2)Cl)(C)O)C</moldb-smiles> <moldb-formula>C14H19ClN2OS</moldb-formula> <moldb-inchi>InChI=1S/C14H19ClN2OS/c1-13(2)9-14(3,18)17(12(16-13)19-4)11-7-5-6-10(15)8-11/h5-8,18H,9H2,1-4H3</moldb-inchi> <moldb-inchikey>YTOPSSPLEADVCP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">298.0906621</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</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>CHEM288628</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>3-(3-chlorophenyl)-4,6,6-trimethyl-2-methylsulfanyl-5h-pyrimidin-4-ol</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Halobenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0244286</sync-id> <structure-inchikey>YTOPSSPLEADVCP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000800000000000400000000000080000000000000000000000000000000000000002020200008000000000001000000080000000000000000400000008000000000000020000000002000000000000000000000000000010000000000000000100000000000020100000000000000000000040001004048000000800000000000000020000000000000000000000000000020000000000000000010000000080000000000000000000000000000000000000000004000000000000000000000001000000090000000001000000200000000000000000040000000000140000000000000000000000100000000000000200000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAFAAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAgIGACAAAAAEBwAoAAAAAwMGACgAAAADBAcAKAAAAAMDEAAgAAAA AgYAYAAAAAEDBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQZAaAAAAAMDAREAIAAAAAEGAGAAAAABAwgAYAAAAAEBBgBgAAAA AQMLAAEAAQIAAgMAAwQABAUgBQYoAgUHAAcIAAQJIAkKaAwKC2gMCwxoDAwN aAwNDmgMCw8AAxAAAxEAARIABgEADgloDEICAAAABgEGBQQDAgYKCwwNDgkX BAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:04:52Z</structure-indexed-at> </compound>