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Pirinixic Acid

PubChem CID: 5694

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Compound Synonyms Pirinixic acid, 50892-23-4, WY-14643, [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid, Wy 14643, Wyeth 14,643, WY-14,643, WY14643, Acido pirinixico, Acide pirinixique, Pirinixic acid [INN], WY-14643 (Pirinixic Acid), (4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid, Acidum pirinixicum, NSC-310038, CCRIS 133, Acide pirinixique [INN-French], Acido pirinixico [INN-Spanish], Acidum pirinixicum [INN-Latin], NSC310038, NSC 310038, BRN 0759945, 86C4MRT55A, DTXSID4020290, CHEBI:32509, HSDB 8056, ((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid, Acetic acid, ((4-chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)-, MFCD00191335, ACETIC ACID, ((4-CHLORO-6-(2,3-XYLIDINO)-2-PYRIMIDINYL)THIO)-, CHEMBL295416, 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid, 5-25-12-00458 (Beilstein Handbook Reference), ({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid, Acetic acid, [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-, NCGC00014702-03, ((4-Chloro-6-(2,3-xylidino)-2-pyrimidinyl)thio)acetic acid, 2-((4-Chloro-6-((2,3-dimethylphenyl)amino)pyrimidin-2-yl)thio)acetic acid, 2-({4-Chloro-6-[(2,3-Dimethylphenyl)amino]pyrimidin-2-Yl}sulfanyl)acetic Acid, Wyeth-14,643, DTXCID00290, CXPTA, C14H14ClN3O2S, Acide pirinixique (INN-French), Acido pirinixico (INN-Spanish), Acidum pirinixicum (INN-Latin), (4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio) acetic acid, Wyeth-14643, ({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}thio)acetic acid, [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-acetic acid, [[4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]acetic acid, 2-[4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanylacetic acid, CAS-50892-23-4, SR-01000597401, UNII-86C4MRT55A, WY14,643, pirinixic-acid, Pirnixic acid, WY 14,643, ((4-chloro-6-((2,3-dimethylphenyl)amino)pyrimidin-2-yl)sulfanyl)acetic acid, 2-(4-chloro-6-((2,3-dimethylphenyl)amino)pyrimidin-2-yl)sulfanylacetic acid, WY1, 4-chloro-6-(2,3-xylidinyl)-2-pyrimidinylthioacetic acid, Tocris-1312, 4-chloro-6-(2,3-dimethylphenyl)amino-2-pyrimidinylthioacetic acid, Spectrum5_001947, NCIStruc1_001774, NCIStruc2_001509, CBiol_001856, BSPBio_001540, KBioGR_000260, KBioGR_002353, KBioSS_000260, KBioSS_002356, JMC515449 Compound 1, MLS004773935, SCHEMBL293161, SPECTRUM1505106, WY-14643, Pirinixic Acid, BML2-E12, GTPL2666, WY 14643 (Pirinixic Acid), WY14643 (Pirinixic Acid)?, BDBM24566, KBio2_000260, KBio2_002353, KBio2_002828, KBio2_004921, KBio2_005396, KBio2_007489, KBio3_000519, KBio3_000520, KBio3_002832, cMAP_000028, Bio1_000142, Bio1_000631, Bio1_001120, Bio2_000260, Bio2_000740, HMS1361M22, HMS1791M22, HMS1989M22, HMS3267N11, HMS3402M22, HMS3412G06, HMS3649C12, HMS3653N21, HMS3676G06, BCP21201, EX-A2258, Tox21_110058, Tox21_201609, Tox21_300634, CCG-37145, NCGC00014702, NCI310038, s8029, AKOS015902283, Tox21_110058_1, CS-4661, ES-0025, FW75167, SB19568, IDI1_034010, NCGC00014702-02, NCGC00014702-04, NCGC00014702-05, NCGC00014702-06, NCGC00014702-07, NCGC00014702-08, NCGC00014702-09, NCGC00014702-10, NCGC00014702-11, NCGC00014702-12, NCGC00014702-15, NCGC00014702-17, NCGC00025107-01, NCGC00025107-02, NCGC00025107-03, NCGC00025107-04, NCGC00025107-05, NCGC00025107-06, NCGC00025107-07, NCGC00025107-08, NCGC00254449-01, NCGC00259158-01, AC-31440, HY-16995, NCI60_002666, SMR001798898, DB-051855, NS00015649, SW203787-2, Acetic acid,3-xylidino)-2-pyrimidinyl]thio]-, C75388, Q7198008, SR-01000597401-1, SR-01000597401-3, SR-01000597401-4, SR-01000597401-6, BRD-K01902415-001-02-6, BRD-K01902415-001-03-4, BRD-K01902415-001-10-9, BRD-K01902415-001-11-7, Acetic acid,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-, [4-chloro-6-(2,3-xylidino)-2-pyrimidinyl-thio]-acetic acid, ((4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl)thio)acetic acid, ([4-Chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]sulfanyl)acetic acid #, [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]aceticacid, [4-Chloro-6-(2,3-dimethyl-phenylamino)-pyrimidin-2-ylsulfanyl]-acetic acid, 2-((4-Chloro-6-((2,3-dimethylphenyl)amino)pyrimidin-2-yl)thio)aceticacid, 2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)acetic acid, Acetic acid, 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-, [[4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-acetic acid, NSC 310038, Pirinixic acid, Pirnixic acid, WY-14643, 621-657-5
Topological Polar Surface Area 100.0
Hydrogen Bond Donor Count 2.0
Inchi Key SZRPDCCEHVWOJX-UHFFFAOYSA-N
Rotatable Bond Count 5.0
Synonyms ((4-Chloro-6-(2,3-xylidino)-2-pyrimidinyl)thio)acetic acid, (4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio) acetic acid, (4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid, [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic Acid, 2-Methylthioribosylzeatin, 4-CHLORO-6-(2,3-XYLIDINO)-2-PYRIMIDINYLTHIOACETIC ACID, 4-chloro-6-(2,3-xylidinyl)-2-pyrimidinylthioacetic acid, Acido pirinixico, Acidum pirinixicum, Cxpta, Pirinixic acid, Pirinixic acid [inn], Pirnixic acid, trans-Methylthioribosylzeatin
Heavy Atom Count 21.0
Compound Name Pirinixic Acid
Description 2-methylthioribosyl-trans-zeatin, also known as wy-14,643 or cxpta, is a member of the class of compounds known as aryl thioethers. Aryl thioethers are organosulfur compounds containing a thioether group that is substituted by an aryl group. 2-methylthioribosyl-trans-zeatin is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-methylthioribosyl-trans-zeatin can be found in common pea and common wheat, which makes 2-methylthioribosyl-trans-zeatin a potential biomarker for the consumption of these food products.
Exact Mass 323.05
Formal Charge 0.0
Monoisotopic Mass 323.05
Isotope Atom Count 0.0
Molecular Complexity 361.0
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 323.8
Database Name fooddb_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 0.0
Iupac Name 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Inchi InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
Smiles CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C
Xlogp 4.2
Defined Bond Stereocenter Count 0.0
Molecular Formula C14H14ClN3O2S

  • 1. Outgoing r'ship FOUND_IN to/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all
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