Halopyrimidines

Description:

Aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

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  1. Tegafur-Uracil
    CAS: 74578-38-4 PubChem CID: 104747
    Out of Stock Item #: T1019205
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    Technical Identifiers
    IUPAC Name
    5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione
    SMILES
    C1CC(OC1)N2C=C(C(=O)NC2=O)F.C1=CNC(=O)NC1=O
    InChIKey
    DHMYGZIEILLVNR-UHFFFAOYSA-N
    InChI
    1S/C8H9FN2O3.C4H4N2O2/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12;7-3-1-2-5-4(8)6-3/h4,6H,1-3H2,(H,10,12,13);1-2H,(H2,5,6,7,8)
  2. 5-Chloropyrimidin-2-ol hydrochloride
    CAS: 42748-90-3 PubChem CID: 12648523 Formula: C4H4Cl2N2O Molecular Weight: 166.99
    Out of Stock Item #: C769991
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    IUPAC Name
    5-chloro-1H-pyrimidin-2-one;hydrochloride
    SMILES
    C1=C(C=NC(=O)N1)Cl.Cl
    InChIKey
    GRLWQORZOWPFCM-UHFFFAOYSA-N
    InChI
    1S/C4H3ClN2O.ClH/c5-3-1-6-4(8)7-2-3;/h1-2H,(H,6,7,8);1H
  3. 2,4-Diamino-6-chloropyrimidine-5-carbonitrile
    CAS: 900456-21-5 PubChem CID: 86708021
    Out of Stock Item #: D769850
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    IUPAC Name
    2,4-diamino-6-chloropyrimidine-5-carbonitrile
    SMILES
    C(#N)C1=C(N=C(N=C1Cl)N)N
    InChIKey
    GHPANXXDQMHDBH-UHFFFAOYSA-N
    InChI
    1S/C5H4ClN5/c6-3-2(1-7)4(8)11-5(9)10-3/h(H4,8,9,10,11)
  4. Tegadifur
    CAS: 62987-05-7 PubChem CID: 124956
    Out of Stock Item #: T768902
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    Technical Identifiers
    IUPAC Name
    5-fluoro-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione
    SMILES
    C1CC(OC1)N2C=C(C(=O)N(C2=O)C3CCCO3)F
    InChIKey
    FLMBDTNCANYTCP-UHFFFAOYSA-N
    InChI
    1S/C12H15FN2O4/c13-8-7-14(9-3-1-5-18-9)12(17)15(11(8)16)10-4-2-6-19-10/h7,9-10H,1-6H2
  5. 6-(2-Aminoethyl)amino-5-chlorouracil
    CAS: 399550-08-4 Formula: C6H9ClN4O2 Molecular Weight: 204.6143
    Out of Stock Item #: A769756
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    Technical Identifiers
    SMILES
    C(CNC1=C(C(=O)NC(=O)N1)Cl)N
    InChIKey
    UBIZYYDQUSJYIT-UHFFFAOYSA-N
    InChI
    1S/C6H9ClN4O2/c7-3-4(9-2-1-8)10-6(13)11-5(3)12/h1-2,8H2,(H3,9,10,11,12,13)
  6. 4-Chloro-5-methoxy-2-methylpyrimidine
    CAS: 698-33-9 PubChem CID: 22152271 Formula: C6H7ClN2O Molecular Weight: 158.58
    Out of Stock Item #: C768734
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    Technical Identifiers
    IUPAC Name
    4-chloro-5-methoxy-2-methylpyrimidine
    SMILES
    CC1=NC=C(C(=N1)Cl)OC
    InChIKey
    SEPGLLQTLDBFAY-UHFFFAOYSA-N
    InChI
    1S/C6H7ClN2O/c1-4-8-3-5(10-2)6(7)9-4/h3H,1-2H3
  7. 4-CHLOROMETHYL-2,6-DICHLOROPYRIMIDINE
    CAS: 94170-66-8 Formula: C5H3Cl3N2 Molecular Weight: 197.4497
    Out of Stock Item #: C769737
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    Technical Identifiers
    SMILES
    C1=C(N=C(N=C1Cl)Cl)CCl
    InChIKey
    PAWAMSWHMUDREV-UHFFFAOYSA-N
    InChI
    1S/C5H3Cl3N2/c6-2-3-1-4(7)10-5(8)9-3/h1H,2H2
  8. 1-(2-Chloroacetyl)-5-fluoropyrimidine-2,4(1H,3H)-dione
    CAS: 110073-43-3 PubChem CID: 45081023
    Out of Stock Item #: F768567
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    Technical Identifiers
    IUPAC Name
    1-(2-chloroacetyl)-5-fluoropyrimidine-2,4-dione
    SMILES
    C1=C(C(=O)NC(=O)N1C(=O)CCl)F
    InChIKey
    YTFLGHPCLLMJDW-UHFFFAOYSA-N
    InChI
    1S/C6H4ClFN2O3/c7-1-4(11)10-2-3(8)5(12)9-6(10)13/h2H,1H2,(H,9,12,13)
  9. 4-Chloro-6-(methylsulfonyl)pyrimidine
    CAS: 89283-46-5 PubChem CID: 254751 Formula: C5H5ClN2O2S Molecular Weight: 192.62
    Out of Stock Item #: C735674
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    Technical Identifiers
    IUPAC Name
    4-chloro-6-methylsulfonylpyrimidine
    SMILES
    CS(=O)(=O)C1=CC(=NC=N1)Cl
    InChIKey
    LNJVTFNEAPYZIU-UHFFFAOYSA-N
    InChI
    1S/C5H5ClN2O2S/c1-11(9,10)5-2-4(6)7-3-8-5/h2-3H,1H3
  10. 5-Chloropyrimidin-4-ol
    CAS: 4349-08-0 PubChem CID: 3257268 Formula: C4H3ClN2O Molecular Weight: 130.53
    Solid ≥95%
    In Stock Item #: C708608
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    5-chloro-1H-pyrimidin-6-one
    SMILES
    C1=C(C(=O)NC=N1)Cl
    InChIKey
    JPSKJAPKTIXPSV-UHFFFAOYSA-N
    InChI
    1S/C4H3ClN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
    Synonyms
    5-chloro-3,4-dihydropyrimidin-4-one
  11. 2-Amino-4-chloro-6-trifluoromethyl pyrimidine
    CAS: 16097-60-2 PubChem CID: 13086907 Formula: C5H3ClF3N3 Molecular Weight: 197.54
    Solid ≥97%
    In Stock Item #: C727304
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
    SMILES
    C1=C(N=C(N=C1Cl)N)C(F)(F)F
    InChIKey
    ZLIUVGFJXHOHLN-UHFFFAOYSA-N
    InChI
    1S/C5H3ClF3N3/c6-3-1-2(5(7,8)9)11-4(10)12-3/h1H,(H2,10,11,12)
  12. 4-Chloro-2-isopropyl-6-methylpyrimidine
    CAS: 4595-69-1 PubChem CID: 3306907 Formula: C8H11ClN2 Molecular Weight: 170.64
    Liquid ≥95%
    Out of Stock Item #: C708634
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    4-chloro-6-methyl-2-propan-2-ylpyrimidine
    SMILES
    CC1=CC(=NC(=N1)C(C)C)Cl
    InChIKey
    PJCDNTVCCXJUAC-UHFFFAOYSA-N
    InChI
    1S/C8H11ClN2/c1-5(2)8-10-6(3)4-7(9)11-8/h4-5H,1-3H3
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