bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C120H98F18N28O11S4 — CID 161133777

IUPACbis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCCc1ccc(-c2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2C)cc1.CNS(=O)(=O)c1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1.CS(=O)(=O)c1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1.FC(F)(F)Oc1ccc(Nc2cc(-c3cnn(Cc4ccc5ncsc5c4)c3)ncn2)cc1.FC(F)(F)Oc1ccc(Nc2cc(-c3cnn(Cc4ccc5ncsc5c4)c3)ncn2)cc1.FC(F)(F)Oc1ccc(Nc2cc(-n3ccnc3CCN3CCOCC3)ncn2)cc1
InChIInChI=1S/2C22H15F3N6OS.C20H21F3N6O2.C20H18F3N3O.C18H15F3N4O3S.C18H14F3N3O3S/c2*23-22(24,25)32-17-4-2-16(3-5-17)30-21-8-19(26-12-27-21)15-9-29-31(11-15)10-14-1-6-18-20(7-14)33-13-28-18;21-20(22,23)31-16-3-1-15(2-4-16)27-17-13-19(26-14-25-17)29-8-6-24-18(29)5-7-28-9-11-30-12-10-28;1-3-14-4-6-15(7-5-14)18-13(2)19(25-12-24-18)26-16-8-10-17(11-9-16)27-20(21,22)23;1-22-29(26,27)15-8-2-12(3-9-15)16-10-17(24-11-23-16)25-13-4-6-14(7-5-13)28-18(19,20)21;1-28(25,26)15-8-2-12(3-9-15)16-10-17(23-11-22-16)24-13-4-6-14(7-5-13)27-18(19,20)21/h2*1-9,11-13H,10H2,(H,26,27,30);1-4,6,8,13-14H,5,7,9-12H2,(H,25,26,27);4-12H,3H2,1-2H3,(H,24,25,26);2-11,22H,1H3,(H,23,24,25);2-11H,1H3,(H,22,23,24)
InChIKeyUMNLCFSAWFMHRR-UHFFFAOYSA-N
MW2578.52 g/mol
LogP28.00
Rot. Bonds35

About bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 161133777) has the molecular formula C120H98F18N28O11S4 and a molecular weight of 2578.52 g/mol. Its IUPAC name is bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Namebis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID161133777
Molecular FormulaC120H98F18N28O11S4
Molecular Weight2578.52 g/mol
Exact Mass2576.66
IUPAC Namebis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCCc1ccc(-c2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2C)cc1.CNS(=O)(=O)c1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1.CS(=O)(=O)c1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1.FC(F)(F)Oc1ccc(Nc2cc(-c3cnn(Cc4ccc5ncsc5c4)c3)ncn2)cc1.FC(F)(F)Oc1ccc(Nc2cc(-c3cnn(Cc4ccc5ncsc5c4)c3)ncn2)cc1.FC(F)(F)Oc1ccc(Nc2cc(-n3ccnc3CCN3CCOCC3)ncn2)cc1
InChIInChI=1S/2C22H15F3N6OS.C20H21F3N6O2.C20H18F3N3O.C18H15F3N4O3S.C18H14F3N3O3S/c2*23-22(24,25)32-17-4-2-16(3-5-17)30-21-8-19(26-12-27-21)15-9-29-31(11-15)10-14-1-6-18-20(7-14)33-13-28-18;21-20(22,23)31-16-3-1-15(2-4-16)27-17-13-19(26-14-25-17)29-8-6-24-18(29)5-7-28-9-11-30-12-10-28;1-3-14-4-6-15(7-5-14)18-13(2)19(25-12-24-18)26-16-8-10-17(11-9-16)27-20(21,22)23;1-22-29(26,27)15-8-2-12(3-9-15)16-10-17(24-11-23-16)25-13-4-6-14(7-5-13)28-18(19,20)21;1-28(25,26)15-8-2-12(3-9-15)16-10-17(23-11-22-16)24-13-4-6-14(7-5-13)27-18(19,20)21/h2*1-9,11-13H,10H2,(H,26,27,30);1-4,6,8,13-14H,5,7,9-12H2,(H,25,26,27);4-12H,3H2,1-2H3,(H,24,25,26);2-11,22H,1H3,(H,23,24,25);2-11H,1H3,(H,22,23,24)
InChIKeyUMNLCFSAWFMHRR-UHFFFAOYSA-N
XLogP28.00
TPSA454.26 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002578.52
LogP ≤ 528.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Analyze bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine with MolForge

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Related Compounds

2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole;2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole;5-(1H-imidazol-2-yl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole;4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine
CID 158377509
bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;methane;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide
CID 158685660
6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 159595808
N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-amine;4,5-dimethyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-1,3-thiazol-2-amine;4-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-1,3-thiazol-2-amine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-1,3-thiazol-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-amine;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-amine
CID 159662883
2-[4-(difluoromethoxy)anilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile;2-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 160146086
bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;5-methyl-6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide
CID 161420924
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine;4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole
CID 157562322
6-(8-amino-2-methylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 158190843
4-[[5-Amino-1-[6-(benzylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[2-(dimethylamino)ethoxy]-1,3-benzothiazol-2-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(methylamino)pyridazin-3-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-(6-phenylsulfanylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
CID 158290729
5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine;methane;5-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(5-methoxy-3-pyridinyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-pyrimidin-4-yl-1,3-benzothiazol-2-amine;N-(6-methylpyridazin-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;5-(5-methyl-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(5-methyl-3-pyridinyl)-N-pyrimidin-4-yl-1,3-benzothiazol-2-amine
CID 158401516
2-[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-methylsulfonylphenyl)-1,3-benzothiazole;2-[1-[5-(1-ethoxyethenyl)pyrimidin-2-yl]piperidin-4-yl]oxy-6-(4-methylsulfonylphenyl)-1,3-benzothiazole;(4-fluorophenyl) 4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;methylidene-[4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]-oxo-propyl-lambda6-sulfane;methyl-methylidene-[4-[[6-(4-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]-oxo-lambda6-sulfane;2-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]oxy-6-(4-methylsulfonylphenyl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-methylsulfonylphenyl)-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole
CID 158605884
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;tris(N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine)
CID 158926402

Frequently Asked Questions

What is the IUPAC name of bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 161133777) is bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is CCc1ccc(-c2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2C)cc1.CNS(=O)(=O)c1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1.CS(=O)(=O)c1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1.FC(F)(F)Oc1ccc(Nc2cc(-c3cnn(Cc4ccc5ncsc5c4)c3)ncn2)cc1.FC(F)(F)Oc1ccc(Nc2cc(-c3cnn(Cc4ccc5ncsc5c4)c3)ncn2)cc1.FC(F)(F)Oc1ccc(Nc2cc(-n3ccnc3CCN3CCOCC3)ncn2)cc1.
What is the InChIKey of bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is UMNLCFSAWFMHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H15F3N6OS.C20H21F3N6O2.C20H18F3N3O.C18H15F3N4O3S.C18H14F3N3O3S/c2*23-22(24,25)32-17-4-2-16(3-5-17)30-21-8-19(26-12-27-21)15-9-29-31(11-15)10-14-1-6-18-20(7-14)33-13-28-18;21-20(22,23)31-16-3-1-15(2-4-16)27-17-13-19(26-14-25-17)29-8-6-24-18(29)5-7-28-9-11-30-12-10-28;1-3-14-4-6-15(7-5-14)18-13(2)19(25-12-24-18)26-16-8-10-17(11-9-16)27-20(21,22)23;1-22-29(26,27)15-8-2-12(3-9-15)16-10-17(24-11-23-16)25-13-4-6-14(7-5-13)28-18(19,20)21;1-28(25,26)15-8-2-12(3-9-15)16-10-17(23-11-22-16)24-13-4-6-14(7-5-13)27-18(19,20)21/h2*1-9,11-13H,10H2,(H,26,27,30);1-4,6,8,13-14H,5,7,9-12H2,(H,25,26,27);4-12H,3H2,1-2H3,(H,24,25,26);2-11,22H,1H3,(H,23,24,25);2-11H,1H3,(H,22,23,24).
What are the key properties of bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 2578.52 g/mol, XLogP of 28.00, 35 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-[1-(1,3-benzothiazol-6-ylmethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine);6-(4-ethylphenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;6-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;N-methyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide;6-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 161133777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).