346484 <common-name>N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonimidic acid</common-name> <description>N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonimidic acid is a chemical compound with the formula C27H28BrN5O5S. With an average molecular weight of 614.50 g/mol, N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonimidic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>44208971</pubchem-id> <chemical-formula>C27H28BrN5O5S</chemical-formula> <weight>614.5</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">2026-08-31T09:57:00Z</created-at> <updated-at type="dateTime">2026-08-31T09:57:00Z</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=C(C=C1)C2=C(N=CN=C2OCCOC3=NC=C(C=N3)Br)N=S(=O)(C4=CC=C(C=C4)C(C)(C)CO)O</moldb-smiles> <moldb-formula>C27H28BrN5O5S</moldb-formula> <moldb-inchi>InChI=1S/C27H28BrN5O5S/c1-18-4-6-19(7-5-18)23-24(33-39(35,36)22-10-8-20(9-11-22)27(2,3)16-34)31-17-32-25(23)37-12-13-38-26-29-14-21(28)15-30-26/h4-11,14-15,17,34H,12-13,16H2,1-3H3,(H,31,32,33,35,36)</moldb-inchi> <moldb-inchikey>XKAHIIZRLRXHAD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">613.09945</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.4</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>CHEM342377</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>N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonimidic acid</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>Diazines</klass> <subklass>Pyrimidines and pyrimidine derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296837</sync-id> <structure-inchikey>XKAHIIZRLRXHAD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000003000000000000000000000000002001000000000000000100001000000020000002000804800000000000000000000400000000000000000004000008000004080000020000008000100001004800000000000000000010000000000000041000000a04400020000000000000000000000000000000040000000000400000000200000800000000000000808000000000000000000200000000000000000080010000140000001080000080000000400000180000000000000200000000100000000400000000000402000001200000000000000200100000000000040000000000080000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAnAAAAKgAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB BkAoAAAAAwQGQCgAAAADBAdAKAAAAAMDBkBoAAAAAwMBB0AoAAAAAwMGQCgA AAADBAgAKAAAAAMCBgBgAAAAAgIGAGAAAAACAggAKAAAAAMCBkAoAAAAAwQH QCgAAAADAwZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBB0AoAAAAAwMjACAA AAABBwAoAAAAAwMQACAAAAAGCAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBgAgAAAABAYAYAAA AAEDBgBgAAAAAQMGAGAAAAACAggAYAAAAAEBCABgAAAAAQELAAEAAQJoDAID aAwDBGgMBAVoDAUGaAwEByAHCGgMCAloDAkKaAwKC2gMCwxoDAwNIA0OAA4P AA8QABARIBESaAwSE2gMExRoDBQVaAwVFmgMFBcACBggGBkIAhkaCAIZGwAb HGgMHB1oDB0eaAweH2gMHyBoDB4hACEiACEjACEkACQlABkmAAYBaAwMB2gM FhFoDCAbaAxCBAAAAAYBBgUEAwIGCQoLDAcIBhITFBUWEQYcHR4fIBsXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:45:13Z</structure-indexed-at> </compound>