6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one

C114H132F15N37O8S2 — CID 158413262

IUPAC6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
SMILESCC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1.CCN(CC)CCc1csc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)n1.CCN(CC)Cc1cnc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)s1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCCCC3=O)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCN(c4ccccc4)C3=O)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C27H33F3N8O2.C23H29F3N8OS.C23H22F3N7O2.C22H27F3N8OS.C19H21F3N6O2/c1-17(2)37-7-5-19(6-8-37)40-25-4-3-18(15-33-25)34-24-14-22(35-26(36-24)38-9-11-39-12-10-38)20-16-32-23(31)13-21(20)27(28,29)30;1-3-33(4-2)6-5-15-14-36-22(29-15)32-20-12-18(30-21(31-20)34-7-9-35-10-8-34)16-13-28-19(27)11-17(16)23(24,25)26;24-23(25,26)17-12-19(27)28-14-16(17)18-13-20(30-21(29-18)31-8-10-35-11-9-31)33-7-6-32(22(33)34)15-4-2-1-3-5-15;1-3-32(4-2)13-14-11-28-21(35-14)31-19-10-17(29-20(30-19)33-5-7-34-8-6-33)15-12-27-18(26)9-16(15)22(23,24)25;20-19(21,22)13-9-15(23)24-11-12(13)14-10-16(28-4-2-1-3-17(28)29)26-18(25-14)27-5-7-30-8-6-27/h3-4,13-17,19H,5-12H2,1-2H3,(H2,31,32)(H,34,35,36);11-14H,3-10H2,1-2H3,(H2,27,28)(H,29,30,31,32);1-5,12-14H,6-11H2,(H2,27,28);9-12H,3-8,13H2,1-2H3,(H2,26,27)(H,28,29,30,31);9-11H,1-8H2,(H2,23,24)
InChIKeyGZONFQUUZTWGGH-UHFFFAOYSA-N
MW2497.66 g/mol
LogP18.36
Rot. Bonds31

About 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one (PubChem CID 158413262) has the molecular formula C114H132F15N37O8S2 and a molecular weight of 2497.66 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
PubChem CID158413262
Molecular FormulaC114H132F15N37O8S2
Molecular Weight2497.66 g/mol
Exact Mass2496.03
IUPAC Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
SMILESCC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1.CCN(CC)CCc1csc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)n1.CCN(CC)Cc1cnc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)s1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCCCC3=O)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCN(c4ccccc4)C3=O)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C27H33F3N8O2.C23H29F3N8OS.C23H22F3N7O2.C22H27F3N8OS.C19H21F3N6O2/c1-17(2)37-7-5-19(6-8-37)40-25-4-3-18(15-33-25)34-24-14-22(35-26(36-24)38-9-11-39-12-10-38)20-16-32-23(31)13-21(20)27(28,29)30;1-3-33(4-2)6-5-15-14-36-22(29-15)32-20-12-18(30-21(31-20)34-7-9-35-10-8-34)16-13-28-19(27)11-17(16)23(24,25)26;24-23(25,26)17-12-19(27)28-14-16(17)18-13-20(30-21(29-18)31-8-10-35-11-9-31)33-7-6-32(22(33)34)15-4-2-1-3-5-15;1-3-32(4-2)13-14-11-28-21(35-14)31-19-10-17(29-20(30-19)33-5-7-34-8-6-33)15-12-27-18(26)9-16(15)22(23,24)25;20-19(21,22)13-9-15(23)24-11-12(13)14-10-16(28-4-2-1-3-17(28)29)26-18(25-14)27-5-7-30-8-6-27/h3-4,13-17,19H,5-12H2,1-2H3,(H2,31,32)(H,34,35,36);11-14H,3-10H2,1-2H3,(H2,27,28)(H,29,30,31,32);1-5,12-14H,6-11H2,(H2,27,28);9-12H,3-8,13H2,1-2H3,(H2,26,27)(H,28,29,30,31);9-11H,1-8H2,(H2,23,24)
InChIKeyGZONFQUUZTWGGH-UHFFFAOYSA-N
XLogP18.36
TPSA523.37 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds31
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002497.66
LogP ≤ 518.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Analyze 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine)
CID 157073805
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide
CID 157298887
6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;tert-butyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 157406128
bis(2-cyclopropyloxy-5-methyl-N-propan-2-ylpyridin-3-amine);2-(1,1-difluoroethyl)-N-propan-2-ylpyridin-3-amine;1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;2-(2-methoxyethoxy)-5-methyl-3-(2-methylpropyl)pyridine;2-methoxy-5-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-4-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one;5-methyl-3-(2-methylpropyl)-1-(1-methylpyrazol-3-yl)pyridin-2-one;bis(5-methyl-N-propan-2-yl-2-propan-2-yloxypyridin-3-amine);3-(2-methylpropyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyridin-2-one
CID 157423394
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine;2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 157621934
N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
CID 157678934
3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide
CID 158119592
2-(methoxymethyl)-5-propan-2-yl-3-(trifluoromethyl)pyridine;N-(1-methoxypropan-2-yl)-N-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-amine;2-methoxy-5-propan-2-yl-3-(trifluoromethyl)pyridine;2-(2-methylbutoxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-2-pyrazol-1-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine;5-propan-2-yl-2-(triazol-2-yl)-3-(trifluoromethyl)pyridine;N-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 158182193
3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide
CID 158203419
6-[2-(Cyclopenten-1-yl)ethynyl]-8-[[2-[2-(dimethylamino)ethyl]-6-fluorophenyl]methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(1-phenylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentyl-1,3-thiazol-5-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158294006
6-[4-(1-Acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one
CID 158555264
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 158695095

Frequently Asked Questions

What is the IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one?
The IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one (CID 158413262) is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one.
What is the SMILES notation for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one?
The canonical SMILES for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one is CC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)CC1.CCN(CC)CCc1csc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)n1.CCN(CC)Cc1cnc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)s1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCCCC3=O)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCN(c4ccccc4)C3=O)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one?
The InChIKey is GZONFQUUZTWGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3N8O2.C23H29F3N8OS.C23H22F3N7O2.C22H27F3N8OS.C19H21F3N6O2/c1-17(2)37-7-5-19(6-8-37)40-25-4-3-18(15-33-25)34-24-14-22(35-26(36-24)38-9-11-39-12-10-38)20-16-32-23(31)13-21(20)27(28,29)30;1-3-33(4-2)6-5-15-14-36-22(29-15)32-20-12-18(30-21(31-20)34-7-9-35-10-8-34)16-13-28-19(27)11-17(16)23(24,25)26;24-23(25,26)17-12-19(27)28-14-16(17)18-13-20(30-21(29-18)31-8-10-35-11-9-31)33-7-6-32(22(33)34)15-4-2-1-3-5-15;1-3-32(4-2)13-14-11-28-21(35-14)31-19-10-17(29-20(30-19)33-5-7-34-8-6-33)15-12-27-18(26)9-16(15)22(23,24)25;20-19(21,22)13-9-15(23)24-11-12(13)14-10-16(28-4-2-1-3-17(28)29)26-18(25-14)27-5-7-30-8-6-27/h3-4,13-17,19H,5-12H2,1-2H3,(H2,31,32)(H,34,35,36);11-14H,3-10H2,1-2H3,(H2,27,28)(H,29,30,31,32);1-5,12-14H,6-11H2,(H2,27,28);9-12H,3-8,13H2,1-2H3,(H2,26,27)(H,28,29,30,31);9-11H,1-8H2,(H2,23,24).
What are the key properties of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one?
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one has a molecular weight of 2497.66 g/mol, XLogP of 18.36, 31 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one is sourced from PubChem (CID 158413262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).