Phenylpyrimidines

Description:

Polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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. 5-[3-(Diethylaminomethyl)-1-octylindol-5-yl]pyrimidin-2-amine
    CAS: 1443253-20-0 Formula: C25H37N5 Molecular Weight: 407.6
    Out of Stock Item #: D1239748
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    IUPAC Name
    5-[3-(diethylaminomethyl)-1-octylindol-5-yl]pyrimidin-2-amine
    SMILES
    CCCCCCCCN1C=C(C2=C1C=CC(=C2)C3=CN=C(N=C3)N)CN(CC)CC
    InChIKey
    HKAUEDVXIIXVGY-UHFFFAOYSA-N
    InChI
    1S/C25H37N5/c1-4-7-8-9-10-11-14-30-19-22(18-29(5-2)6-3)23-15-20(12-13-24(23)30)21-16-27-25(26)28-17-21/h12-13,15-17,19H,4-11,14,18H2,1-3H3,(H2,26,27,2show more
  2. Syk Inhibitor IV, BAY 61-3606
    CAS: 1615197-10-8 PubChem CID: 52949496 Formula: C20H18N6O3•HCl Molecular Weight: 390.403646
    Out of Stock Item #: S1288909
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    IUPAC Name
    2-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide;hydrochloride
    SMILES
    COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC.Cl
    InChIKey
    HLYFDKZWVIBYKL-UHFFFAOYSA-N
    InChI
    1S/C20H18N6O3.ClH/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19;/h3-11H,1-2H3,(H2,21,27)(H,23,24,25);1H
  3. N-[2-(Dimethylamino)ethyl]-2-(1,1-dimethylethyl)-7-(4-fluorophenyl)-N-(phenylmethyl)-pyrazolo[1,5-a]pyrimidine-5-carboxamide
    CAS: 1314206-29-5 Formula: C28H32FN5O Molecular Weight: 473.6
    Out of Stock Item #: N1240517
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    IUPAC Name
    N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
    SMILES
    CC(C)(C)C1=NN2C(=CC(=NC2=C1)C(=O)N(CCN(C)C)CC3=CC=CC=C3)C4=CC=C(C=C4)F
    InChIKey
    GMFHHCFJJZWFBW-UHFFFAOYSA-N
    InChI
    1S/C28H32FN5O/c1-28(2,3)25-18-26-30-23(17-24(34(26)31-25)21-11-13-22(29)14-12-21)27(35)33(16-15-32(4)5)19-20-9-7-6-8-10-20/h6-14,17-18H,15-16,19H2,1-5show more
  4. Triflumezopyrim
    CAS: 1263133-33-0 EC Number: 816-285-7 PubChem CID: 57414497
    Out of Stock Item #: T1282852
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    IUPAC Name
    4-oxo-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate
    SMILES
    C1=CC2=[N+](C(=C(C(=O)N2C=C1)C3=CC(=CC=C3)C(F)(F)F)[O-])CC4=CN=CN=C4
    InChIKey
    LHZOTJOOBRODLL-UHFFFAOYSA-N
    InChI
    1S/C20H13F3N4O2/c21-20(22,23)15-5-3-4-14(8-15)17-18(28)26-7-2-1-6-16(26)27(19(17)29)11-13-9-24-12-25-10-13/h1-10,12H,11H2
  5. 5-(3,4-Dimethoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
    CAS: 883003-62-1 PubChem CID: 2823337
    Out of Stock Item #: D1016058
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    Technical Identifiers
    IUPAC Name
    5-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
    SMILES
    COC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C4=CC=CS4)OC
    InChIKey
    CLFOYJSEPPNFQZ-UHFFFAOYSA-N
    InChI
    1S/C19H14F3N3O2S/c1-26-14-6-5-11(8-15(14)27-2)12-9-17(19(20,21)22)25-18(23-12)10-13(24-25)16-4-3-7-28-16/h3-10H,1-2H3
  6. 4-phenyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine
    CAS: 511514-03-7 PubChem CID: 950615
    Out of Stock Item #: P994291
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    IUPAC Name
    4-phenyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine
    SMILES
    CC1=CC(N=C(N1)NC2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)(C)C
    InChIKey
    DXICUHJLOMNKOU-UHFFFAOYSA-N
    InChI
    1S/C21H21N5/c1-14-13-21(2,3)26-20(22-14)25-19-23-17-12-8-7-11-16(17)18(24-19)15-9-5-4-6-10-15/h4-13H,1-3H3,(H2,22,23,24,25,26)
  7. Rosuvastatin (ZD 4522)
    CAS: 287714-41-4 EC Number: 689-191-5 PubChem CID: 446157 Formula: C22H28FN3O6S Molecular Weight: 481.54
    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%
    Out of Stock Item #: R768868
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    IUPAC Name
    (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
    SMILES
    CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
    InChIKey
    BPRHUIZQVSMCRT-VEUZHWNKSA-N
    InChI
    1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(show more
    Synonyms
    ZD 4522
  8. LDN 193189
    CAS: 1435934-00-1 PubChem CID: 91900717 Formula: C25H24Cl2N6 Molecular Weight: 479.4
    Out of Stock Item #: L753296-GMP
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    IUPAC Name
    4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;dihydrochloride
    SMILES
    C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3.Cl.Cl
    InChIKey
    CMQXLLAILGGLRV-UHFFFAOYSA-N
    InChI
    1S/C25H22N6.2ClH/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30;;/h1-10,15-17,26H,11-14H2;2*1H
    Synonyms
    4-[6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline dihydrochloride
  9. CHIR 99021
    CAS: 252917-06-9 EC Number: 809-015-4 Formula: C22H18Cl2N8 Molecular Weight: 465.34
    Out of Stock Item #: C753240-GMP
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    IUPAC Name
    6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile
    SMILES
    CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N
    InChIKey
    AQGNHMOJWBZFQQ-UHFFFAOYSA-N
    InChI
    1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(Hshow more
    Synonyms
    6-[[2-[[4-(2,4-Dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino]ethyl]amino]-3-pyridinecarbonitrile
  10. CL-417513
    CAS: 313986-65-1 EC Number: 168-069-0 Formula: C25H20F3N5O2 Molecular Weight: 479.45
    Out of Stock Item #: C416708
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    IUPAC Name
    phenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone
    SMILES
    C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CC=C5)C(F)(F)F
    InChIKey
    ZUPGHKKHKOINAJ-UHFFFAOYSA-N
    InChI
    1S/C25H20F3N5O2/c26-25(27,28)21-15-19(17-7-3-1-4-8-17)29-22-16-20(30-33(21)22)24(35)32-13-11-31(12-14-32)23(34)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
    Synonyms
    2-[(4-Benzoyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine
  11. Enecadin 
    CAS: 259525-01-4 Formula: C21H28FN3O Molecular Weight: 357.46
    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 #: E709856
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    Technical Identifiers
    IUPAC Name
    4-(4-fluorophenyl)-2-methyl-6-(5-piperidin-1-ylpentoxy)pyrimidine
    SMILES
    CC1=NC(=CC(=N1)OCCCCCN2CCCCC2)C3=CC=C(C=C3)F
    InChIKey
    SZSHJTJCJOWMHM-UHFFFAOYSA-N
    InChI
    1S/C21H28FN3O/c1-17-23-20(18-8-10-19(22)11-9-18)16-21(24-17)26-15-7-3-6-14-25-12-4-2-5-13-25/h8-11,16H,2-7,12-15H2,1H3
  12. 6-Hydroxy-1-Isopropyl-4-(4-Isopropylphenyl)-1H-Quinazolin-2-One
    CAS: 478963-71-2 PubChem CID: 45140003
    Out of Stock Item #: H732478
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    IUPAC Name
    6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
    SMILES
    CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)O)C(C)C
    InChIKey
    OFKNILXLOVIKRS-UHFFFAOYSA-N
    InChI
    1S/C20H22N2O2/c1-12(2)14-5-7-15(8-6-14)19-17-11-16(23)9-10-18(17)22(13(3)4)20(24)21-19/h5-13,23H,1-4H3
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