Pyrimidinecarboxylic acids and derivatives

Description:

Compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).

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  1. Ethyl 4-hydroxy-2-phenylpyrimidine-5-carboxylate
    CAS: 55613-22-4 Formula: C13H12N2O3 Molecular Weight: 244.25
    Solid ≥98%
    Out of Stock Item #: E1073478
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    IUPAC Name
    ethyl 6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate
    SMILES
    CCOC(=O)C1=CN=C(NC1=O)C2=CC=CC=C2
    InChIKey
    JSIHCFJCICVJHJ-UHFFFAOYSA-N
    InChI
    1S/C13H12N2O3/c1-2-18-13(17)10-8-14-11(15-12(10)16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16)
  2. GW833972A
    CAS: 1092502-33-4 EC Number: 682-931-8 PubChem CID: 71312007 Formula: C18H14Cl2F3N5O Molecular Weight: 444.24
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    Out of Stock Item #: G1017885
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    IUPAC Name
    2-(3-chloroanilino)-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;hydrochloride
    SMILES
    C1=CC(=CC(=C1)Cl)NC2=NC=C(C(=N2)C(F)(F)F)C(=O)NCC3=CC=NC=C3.Cl
    InChIKey
    UBHSVFAUAKIVKL-UHFFFAOYSA-N
    InChI
    1S/C18H13ClF3N5O.ClH/c19-12-2-1-3-13(8-12)26-17-25-10-14(15(27-17)18(20,21)22)16(28)24-9-11-4-6-23-7-5-11;/h1-8,10H,9H2,(H,24,28)(H,25,26,27);1H
    Synonyms
    2-((3-Chlorophenyl)amino)-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide hydrochloride | GW 833972A
  3. ethyl 2-amino-6-methylpyrimidine-4-carboxylate
    CAS: 857410-67-4 Formula: C8H11N3O2 Molecular Weight: 181.19
    Out of Stock Item #: E768673
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    SMILES
    CCOC(=O)C1=NC(=NC(=C1)C)N
    InChIKey
    OGWOWURWQZDVMB-UHFFFAOYSA-N
    InChI
    1S/C8H11N3O2/c1-3-13-7(12)6-4-5(2)10-8(9)11-6/h4H,3H2,1-2H3,(H2,9,10,11)
  4. Lithium orotate
    CAS: 5266-20-6 Formula: C5H3LiN2O4 Molecular Weight: 162.03
    Solid ≥95%
    In Stock Item #: L770321
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    IUPAC Name
    lithium;2,4-dioxo-1H-pyrimidine-6-carboxylate
    SMILES
    [Li+].C1=C(NC(=O)NC1=O)C(=O)[O-]
    InChIKey
    IZJGDPULXXNWJP-UHFFFAOYSA-M
    InChI
    1S/C5H4N2O4.Li/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1
    Synonyms
    1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylicacimonolithiumsalt | Lithiiorotasmonohydricum | Orotic acid mono...
  5. 6-Chloro-5-methylpyrimidine-4-carboxylic acid
    CAS: 933702-12-6 Formula: C6H5ClN2O2 Molecular Weight: 172.5691
    Out of Stock Item #: C769695
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    SMILES
    CC1=C(N=CN=C1Cl)C(=O)O
    InChIKey
    SXZYXDFPPBBYPH-UHFFFAOYSA-N
    InChI
    1S/C6H5ClN2O2/c1-3-4(6(10)11)8-2-9-5(3)7/h2H,1H3,(H,10,11)
  6. 5-Pyrimidinecarbonyl chloride, 4-chloro-2-(methylthio)-
    CAS: 55084-66-7 EC Number: 815-867-8 PubChem CID: 18969078
    Out of Stock Item #: P769872
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    Technical Identifiers
    IUPAC Name
    4-chloro-2-methylsulfanylpyrimidine-5-carbonyl chloride
    SMILES
    CSC1=NC=C(C(=N1)Cl)C(=O)Cl
    InChIKey
    NMFCRGDGVPCDHH-UHFFFAOYSA-N
    InChI
    1S/C6H4Cl2N2OS/c1-12-6-9-2-3(5(8)11)4(7)10-6/h2H,1H3
  7. Ethyl 4-(cyclopentylamino)-2-(methylthio)pyrimidine-5-carboxylate
    CAS: 211245-62-4 PubChem CID: 9151473 Formula: C13H19N3O2S Molecular Weight: 281.38
    Solid ≥95%
    In Stock Item #: E710288
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    Technical Identifiers
    SMILES
    CCOC(=O)C1=CN=C(N=C1NC2CCCC2)SC
    InChIKey
    MYJQMHHJSZBXNK-UHFFFAOYSA-N
    InChI
    1S/C13H19N3O2S/c1-3-18-12(17)10-8-14-13(19-2)16-11(10)15-9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,14,15,16)
    Synonyms
    ETHYL 4-(CYCLOPENTYLAMINO)-2-(METHYLSULFANYL)PYRIMIDINE-5-CARBOXYLATE | DTXSID90429347 | DTXCID90380181 | ethyl 4-(cy...
  8. Ethyl 2-hydroxypyrimidine-5-carboxylate
    CAS: 95928-49-7 EC Number: 850-338-5 PubChem CID: 10658232 Formula: C7H8N2O3 Molecular Weight: 168.15
    Solid ≥98%
    In Stock Item #: E724949
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    Technical Identifiers
    IUPAC Name
    ethyl 2-oxo-1H-pyrimidine-5-carboxylate
    SMILES
    CCOC(=O)C1=CNC(=O)N=C1
    InChIKey
    CFWYVWBOCSWZIK-UHFFFAOYSA-N
    InChI
    1S/C7H8N2O3/c1-2-12-6(10)5-3-8-7(11)9-4-5/h3-4H,2H2,1H3,(H,8,9,11)
  9. 5-Aminopyrimidine-4-carboxylic acid
    CAS: 59950-53-7 Formula: C5H5N3O2 Molecular Weight: 139.11
    Solid ≥97%
    In Stock Item #: A726623
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    Technical Identifiers
    IUPAC Name
    5-aminopyrimidine-4-carboxylic acid
    SMILES
    C1=C(C(=NC=N1)C(=O)O)N
    InChIKey
    XRXXONFCDCIHQM-UHFFFAOYSA-N
    InChI
    1S/C5H5N3O2/c6-3-1-7-2-8-4(3)5(9)10/h1-2H,6H2,(H,9,10)
  10. 2,4,6-Trichloropyrimidine-5-carboxylic acid
    CAS: 93416-51-4 EC Number: 866-853-3 Formula: C5HCl3N2O2 Molecular Weight: 227.43
    Solid ≥97%
    Out of Stock Item #: T729722
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    Technical Identifiers
    IUPAC Name
    2,4,6-trichloropyrimidine-5-carboxylic acid
    SMILES
    C1(=C(N=C(N=C1Cl)Cl)Cl)C(=O)O
    InChIKey
    WYOSARQXNFQQIG-UHFFFAOYSA-N
    InChI
    1S/C5HCl3N2O2/c6-2-1(4(11)12)3(7)10-5(8)9-2/h(H,11,12)
  11. 2,4-diaminopyrimidine-5-carboxamide
    CAS: 66131-74-6 PubChem CID: 12429303 Formula: C5H7N5O Molecular Weight: 153.14
    Out of Stock Item #: D726817
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    Technical Identifiers
    IUPAC Name
    2,4-diaminopyrimidine-5-carboxamide
    SMILES
    C1=C(C(=NC(=N1)N)N)C(=O)N
    InChIKey
    VULZVYGZVOMUKU-UHFFFAOYSA-N
    InChI
    1S/C5H7N5O/c6-3-2(4(7)11)1-9-5(8)10-3/h1H,(H2,7,11)(H4,6,8,9,10)
  12. 2-Phenylpyrimidine-4-carboxylic acid
    CAS: 16879-53-1 PubChem CID: 21709141 Formula: C11H8N2O2 Molecular Weight: 200.19
    Out of Stock Item #: P730122
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    Technical Identifiers
    IUPAC Name
    2-phenylpyrimidine-4-carboxylic acid
    SMILES
    C1=CC=C(C=C1)C2=NC=CC(=N2)C(=O)O
    InChIKey
    RBPXFHFYDRRIJQ-UHFFFAOYSA-N
    InChI
    1S/C11H8N2O2/c14-11(15)9-6-7-12-10(13-9)8-4-2-1-3-5-8/h1-7H,(H,14,15)
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