Bipyrimidines and oligopyrimidines

Description:

Organic compounds containing two or more pyrimidine rings directly linked to each other. 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. Hydroxy Desmethyl Bosentan
    CAS: 253688-62-9 PubChem CID: 6426757
    Out of Stock Item #: H1055776
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    IUPAC Name
    N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
    SMILES
    CC(C)(CO)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4O
    InChIKey
    JXXCMZWROOURSZ-UHFFFAOYSA-N
    InChI
    1S/C26H27N5O7S/c1-26(2,16-33)17-8-10-18(11-9-17)39(35,36)31-22-21(38-20-7-4-3-6-19(20)34)25(37-15-14-32)30-24(29-22)23-27-12-5-13-28-23/h3-13,32-34H,1show more
  2. N-[6-Chloro-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)benzenesulfonamide potassium salt
    CAS: 301646-59-3 PubChem CID: 44128752 Formula: C25H23ClKN5O4S Molecular Weight: 564.11
    Out of Stock Item #: N732040
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    IUPAC Name
    potassium;(4-tert-butylphenyl)sulfonyl-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]azanide
    SMILES
    CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[N-]C2=C(C(=NC(=N2)C3=NC=CC=N3)Cl)OC4=CC=CC=C4OC.[K+]
    InChIKey
    AKVKGLFONGGDDC-UHFFFAOYSA-N
    InChI
    1S/C25H23ClN5O4S.K/c1-25(2,3)16-10-12-17(13-11-16)36(32,33)31-22-20(35-19-9-6-5-8-18(19)34-4)21(26)29-24(30-22)23-27-14-7-15-28-23;/h5-15H,1-4H3;/q-1;show more
  3. 2-(Pyrimidin-2-yl)pyrimidine-5-carboxylic acid
    CAS: 933191-25-4 PubChem CID: 53396479 Formula: C9H6N4O2 Molecular Weight: 202.17
    Out of Stock Item #: P692853
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    IUPAC Name
    2-pyrimidin-2-ylpyrimidine-5-carboxylic acid
    SMILES
    C1=CN=C(N=C1)C2=NC=C(C=N2)C(=O)O
    InChIKey
    WULZRCCJSITGMR-UHFFFAOYSA-N
    InChI
    1S/C9H6N4O2/c14-9(15)6-4-12-8(13-5-6)7-10-2-1-3-11-7/h1-5H,(H,14,15)
  4. 2-(Pyrimidin-2-yl)pyrimidine-5-carboxylic acid
    CAS: 933191-25-4 PubChem CID: 53396479 Formula: C9H6N4O2 Molecular Weight: 202.17
    Out of Stock Item #: P692577
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    IUPAC Name
    2-pyrimidin-2-ylpyrimidine-5-carboxylic acid
    SMILES
    C1=CN=C(N=C1)C2=NC=C(C=N2)C(=O)O
    InChIKey
    WULZRCCJSITGMR-UHFFFAOYSA-N
    InChI
    1S/C9H6N4O2/c14-9(15)6-4-12-8(13-5-6)7-10-2-1-3-11-7/h1-5H,(H,14,15)
  5. Nebentan potassium
    CAS: 342005-82-7 PubChem CID: 12093171 Formula: C24H20KN5O5S Molecular Weight: 529.61
    Out of Stock Item #: N647092
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    IUPAC Name
    potassium;[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-[(E)-2-phenylethenyl]sulfonylazanide
    SMILES
    COC1=CC=CC=C1OC2=C(N=C(N=C2OC)C3=NC=CC=N3)[N-]S(=O)(=O)C=CC4=CC=CC=C4.[K+]
    InChIKey
    WOPWEXSDEXIRNG-ZUQRMPMESA-N
    InChI
    1S/C24H20N5O5S.K/c1-32-18-11-6-7-12-19(18)34-20-21(29-35(30,31)16-13-17-9-4-3-5-10-17)27-23(28-24(20)33-2)22-25-14-8-15-26-22;/h3-16H,1-2H3;/q-1;+1/b1show more
    Synonyms
    Nebentan (potassium) | YM598 | YM-598 | Ethenesulfonamide, N-[6-methoxy-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-...
  6. Nebentan
    CAS: 403604-85-3 PubChem CID: 9957262 Formula: C24H21N5O5S Molecular Weight: 491.52
    Out of Stock Item #: N646223
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    IUPAC Name
    (E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide
    SMILES
    COC1=CC=CC=C1OC2=C(N=C(N=C2OC)C3=NC=CC=N3)NS(=O)(=O)C=CC4=CC=CC=C4
    InChIKey
    LONWRQOYFPYMQD-DTQAZKPQSA-N
    InChI
    1S/C24H21N5O5S/c1-32-18-11-6-7-12-19(18)34-20-21(29-35(30,31)16-13-17-9-4-3-5-10-17)27-23(28-24(20)33-2)22-25-14-8-15-26-22/h3-16H,1-2H3,(H,27,28,29)/show more
    Synonyms
    SCHEMBL5272291 | DTXSID50193350 | UNII-IJ670B0H4A | Nebentan [INN] | Ethenesulfonamide, N-[6-methoxy-5-(2-methoxyphen...
  7. K-8794
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: K611308
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    IUPAC Name
    3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxy-N-(2,6-dimethylphenyl)propanamide
    SMILES
    COc1ccccc1Oc1c(OCCC(=O)Nc2c(C)cccc2C)nc(nc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1
    InChIKey
    MTNFANNLCUMCNB-UHFFFAOYSA-N
    InChI
    1S/C36H38N6O6S/c1-23-11-9-12-24(2)30(23)39-29(43)19-22-47-35-31(48-28-14-8-7-13-27(28)46-6)32(40-34(41-35)33-37-20-10-21-38-33)42-49(44,45)26-17-15-25show more
  8. PIK-III
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: P612835
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    IUPAC Name
    4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
    SMILES
    Nc1ncc(c(n1)CC1CC1)c1ccnc(n1)Nc1ccncc1
    InChIKey
    XXSDLQLNIVFIJI-UHFFFAOYSA-N
    InChI
    1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)
  9. KSQ-4279
    CAS: 2446480-97-1 Formula: C27H25F3N8O Molecular Weight: 534.54
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: K611359
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    IUPAC Name
    6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
    SMILES
    COc1ncnc(C2CC2)c1c1nc2c(cnn2Cc2ccc(cc2)c2nc(cn2C(C)C)C(F)(F)F)cn1
    InChIKey
    KCBWAFJCKVKYHO-UHFFFAOYSA-N
    InChI
    1S/C27H25F3N8O/c1-15(2)37-13-20(27(28,29)30)35-24(37)18-6-4-16(5-7-18)12-38-25-19(11-34-38)10-31-23(36-25)21-22(17-8-9-17)32-14-33-26(21)39-3/h4-7,10-show more
    Synonyms
    UNII-HK5F3RGM8P | KCBWAFJCKVKYHO-UHFFFAOYSA-N | 6-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-1-(4-(1-isopropyl-4-(triflu...
  10. LAS38096
    CAS: 851371-22-7 PubChem CID: 11716665
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: L611451
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    IUPAC Name
    4-furan-2-yl-N-pyridin-3-yl-5-pyrimidin-4-ylpyrimidin-2-amine
    SMILES
    n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1
    InChIKey
    YRPIMMMBNUUYLG-UHFFFAOYSA-N
    InChI
    1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
    Synonyms
    BDBM50211685 | 4-acetyl benzene boronic acid | BJB37122 | 4'-(2-Furyl)-N-(3-pyridinyl)-4,5'-bipyrimidin-2'-amine | 4'...
  11. VPS34 inhibitor 1 (Compound 19)
    CAS: 1383716-46-8 PubChem CID: 67983918 Formula: C21H25N7O Molecular Weight: 391.47
    Out of Stock Item #: V414016
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    IUPAC Name
    1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol
    SMILES
    CC(C)(CNC1=NC=C(C(=N1)CC2CC2)C3=NC(=NC=C3)NC4=CC=NC=C4)O
    InChIKey
    XJTIGGCBXFIZJV-UHFFFAOYSA-N
    InChI
    1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)show more
    Synonyms
    PIK-III analogue2-​Propanol,1-​[[4'-​(cyclopropylmethyl)​-​2-​(4-​pyridinylamino)​[4,​5'-​bipyrimidin]​-​2'-​yl]​amino]...
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