2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide

C264H329F3N62O19S3 — CID 160969020

IUPAC2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide
SMILESCC(C)c1cc(CCNc2nccc(-c3cccc(CN4C[C@H](C)NC[C@@H]4C)c3)n2)ccc1O.CCc1cc(CCNc2nccc(-c3cccc(CN4C[C@H](C)NC[C@@H]4C)c3)n2)ccc1O.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)c(C(C)(C)C)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)c(C(F)(F)F)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(OS(N)(=O)=O)c(O)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(S(C)(=O)=O)c(O)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(S(C)=O)c(O)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN[C@@H](C(=O)NC2N=NN=N2)CN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@@H](C(N)=O)CN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@H](C(=O)NC2N=NN=N2)CN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1
InChIInChI=1S/C29H39N5O.C28H37N5O.C27H35N5O.C26H30F3N5O.2C26H30N10O2.C26H33N5O3S.C26H33N5O2S.C25H32N6O4S.C25H30N6O2/c1-20-18-34(21(2)17-32-20)19-23-7-6-8-24(15-23)26-12-14-31-28(33-26)30-13-11-22-9-10-27(35)25(16-22)29(3,4)5;1-19(2)25-15-22(8-9-27(25)34)10-12-29-28-30-13-11-26(32-28)24-7-5-6-23(14-24)18-33-17-20(3)31-16-21(33)4;1-4-23-14-21(8-9-26(23)33)10-12-28-27-29-13-11-25(31-27)24-7-5-6-22(15-24)18-32-17-19(2)30-16-20(32)3;1-17-15-34(18(2)14-32-17)16-20-4-3-5-21(12-20)23-9-11-31-25(33-23)30-10-8-19-6-7-24(35)22(13-19)26(27,28)29;2*1-17-14-29-23(24(38)31-26-32-34-35-33-26)16-36(17)15-19-3-2-4-20(13-19)22-10-12-28-25(30-22)27-11-9-18-5-7-21(37)8-6-18;1-18-16-31(19(2)15-29-18)17-21-5-4-6-22(13-21)23-10-12-28-26(30-23)27-11-9-20-7-8-25(24(32)14-20)35(3,33)34;1-18-16-31(19(2)15-29-18)17-21-5-4-6-22(13-21)23-10-12-28-26(30-23)27-11-9-20-7-8-25(34(3)33)24(32)14-20;1-17-15-31(18(2)14-29-17)16-20-4-3-5-21(12-20)22-9-11-28-25(30-22)27-10-8-19-6-7-24(23(32)13-19)35-36(26,33)34;1-17-14-29-23(24(26)33)16-31(17)15-19-3-2-4-20(13-19)22-10-12-28-25(30-22)27-11-9-18-5-7-21(32)8-6-18/h6-10,12,14-16,20-21,32,35H,11,13,17-19H2,1-5H3,(H,30,31,33);5-9,11,13-15,19-21,31,34H,10,12,16-18H2,1-4H3,(H,29,30,32);5-9,11,13-15,19-20,30,33H,4,10,12,16-18H2,1-3H3,(H,28,29,31);3-7,9,11-13,17-18,32,35H,8,10,14-16H2,1-2H3,(H,30,31,33);2*2-8,10,12-13,17,23,26,29,37H,9,11,14-16H2,1H3,(H,31,38)(H,27,28,30);4-8,10,12-14,18-19,29,32H,9,11,15-17H2,1-3H3,(H,27,28,30);4-8,10,12-14,18-19,29,32H,9,11,15-17H2,1-3H3,(H,27,28,30);3-7,9,11-13,17-18,29,32H,8,10,14-16H2,1-2H3,(H2,26,33,34)(H,27,28,30);2-8,10,12-13,17,23,29,32H,9,11,14-16H2,1H3,(H2,26,33)(H,27,28,30)/t2*20-,21-;19-,20-;17-,18-;17-,23+;17-,23-;18-,19-;18-,19-,34?;17-,18-;17-,23+/m0000000000/s1
InChIKeySXZZETYUTIJWCC-UTVKCDNLSA-N
MW4828.15 g/mol
LogP35.48
Rot. Bonds81

About 2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide

2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide (PubChem CID 160969020) has the molecular formula C264H329F3N62O19S3 and a molecular weight of 4828.15 g/mol. Its IUPAC name is 2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide
PubChem CID160969020
Molecular FormulaC264H329F3N62O19S3
Molecular Weight4828.15 g/mol
Exact Mass4824.58
IUPAC Name2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide
SMILESCC(C)c1cc(CCNc2nccc(-c3cccc(CN4C[C@H](C)NC[C@@H]4C)c3)n2)ccc1O.CCc1cc(CCNc2nccc(-c3cccc(CN4C[C@H](C)NC[C@@H]4C)c3)n2)ccc1O.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)c(C(C)(C)C)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)c(C(F)(F)F)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(OS(N)(=O)=O)c(O)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(S(C)(=O)=O)c(O)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(S(C)=O)c(O)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN[C@@H](C(=O)NC2N=NN=N2)CN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@@H](C(N)=O)CN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@H](C(=O)NC2N=NN=N2)CN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1
InChIInChI=1S/C29H39N5O.C28H37N5O.C27H35N5O.C26H30F3N5O.2C26H30N10O2.C26H33N5O3S.C26H33N5O2S.C25H32N6O4S.C25H30N6O2/c1-20-18-34(21(2)17-32-20)19-23-7-6-8-24(15-23)26-12-14-31-28(33-26)30-13-11-22-9-10-27(35)25(16-22)29(3,4)5;1-19(2)25-15-22(8-9-27(25)34)10-12-29-28-30-13-11-26(32-28)24-7-5-6-23(14-24)18-33-17-20(3)31-16-21(33)4;1-4-23-14-21(8-9-26(23)33)10-12-28-27-29-13-11-25(31-27)24-7-5-6-22(15-24)18-32-17-19(2)30-16-20(32)3;1-17-15-34(18(2)14-32-17)16-20-4-3-5-21(12-20)23-9-11-31-25(33-23)30-10-8-19-6-7-24(35)22(13-19)26(27,28)29;2*1-17-14-29-23(24(38)31-26-32-34-35-33-26)16-36(17)15-19-3-2-4-20(13-19)22-10-12-28-25(30-22)27-11-9-18-5-7-21(37)8-6-18;1-18-16-31(19(2)15-29-18)17-21-5-4-6-22(13-21)23-10-12-28-26(30-23)27-11-9-20-7-8-25(24(32)14-20)35(3,33)34;1-18-16-31(19(2)15-29-18)17-21-5-4-6-22(13-21)23-10-12-28-26(30-23)27-11-9-20-7-8-25(34(3)33)24(32)14-20;1-17-15-31(18(2)14-29-17)16-20-4-3-5-21(12-20)22-9-11-28-25(30-22)27-10-8-19-6-7-24(23(32)13-19)35-36(26,33)34;1-17-14-29-23(24(26)33)16-31(17)15-19-3-2-4-20(13-19)22-10-12-28-25(30-22)27-11-9-18-5-7-21(32)8-6-18/h6-10,12,14-16,20-21,32,35H,11,13,17-19H2,1-5H3,(H,30,31,33);5-9,11,13-15,19-21,31,34H,10,12,16-18H2,1-4H3,(H,29,30,32);5-9,11,13-15,19-20,30,33H,4,10,12,16-18H2,1-3H3,(H,28,29,31);3-7,9,11-13,17-18,32,35H,8,10,14-16H2,1-2H3,(H,30,31,33);2*2-8,10,12-13,17,23,26,29,37H,9,11,14-16H2,1H3,(H,31,38)(H,27,28,30);4-8,10,12-14,18-19,29,32H,9,11,15-17H2,1-3H3,(H,27,28,30);4-8,10,12-14,18-19,29,32H,9,11,15-17H2,1-3H3,(H,27,28,30);3-7,9,11-13,17-18,29,32H,8,10,14-16H2,1-2H3,(H2,26,33,34)(H,27,28,30);2-8,10,12-13,17,23,29,32H,9,11,14-16H2,1H3,(H2,26,33)(H,27,28,30)/t2*20-,21-;19-,20-;17-,18-;17-,23+;17-,23-;18-,19-;18-,19-,34?;17-,18-;17-,23+/m0000000000/s1
InChIKeySXZZETYUTIJWCC-UTVKCDNLSA-N
XLogP35.48
TPSA1053.87 Ų
H-Bond Donors34
H-Bond Acceptors77
Rotatable Bonds81
Heavy Atoms351
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004828.15
LogP ≤ 535.48
H-Bond Donors ≤ 534
H-Bond Acceptors ≤ 1077

Analyze 2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide?
The IUPAC name of 2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide (CID 160969020) is 2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide.
What is the SMILES notation for 2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide?
The canonical SMILES for 2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide is CC(C)c1cc(CCNc2nccc(-c3cccc(CN4C[C@H](C)NC[C@@H]4C)c3)n2)ccc1O.CCc1cc(CCNc2nccc(-c3cccc(CN4C[C@H](C)NC[C@@H]4C)c3)n2)ccc1O.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)c(C(C)(C)C)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)c(C(F)(F)F)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(OS(N)(=O)=O)c(O)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(S(C)(=O)=O)c(O)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(S(C)=O)c(O)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN[C@@H](C(=O)NC2N=NN=N2)CN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@@H](C(N)=O)CN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@H](C(=O)NC2N=NN=N2)CN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1.
What is the InChIKey of 2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide?
The InChIKey is SXZZETYUTIJWCC-UTVKCDNLSA-N. The full InChI is InChI=1S/C29H39N5O.C28H37N5O.C27H35N5O.C26H30F3N5O.2C26H30N10O2.C26H33N5O3S.C26H33N5O2S.C25H32N6O4S.C25H30N6O2/c1-20-18-34(21(2)17-32-20)19-23-7-6-8-24(15-23)26-12-14-31-28(33-26)30-13-11-22-9-10-27(35)25(16-22)29(3,4)5;1-19(2)25-15-22(8-9-27(25)34)10-12-29-28-30-13-11-26(32-28)24-7-5-6-23(14-24)18-33-17-20(3)31-16-21(33)4;1-4-23-14-21(8-9-26(23)33)10-12-28-27-29-13-11-25(31-27)24-7-5-6-22(15-24)18-32-17-19(2)30-16-20(32)3;1-17-15-34(18(2)14-32-17)16-20-4-3-5-21(12-20)23-9-11-31-25(33-23)30-10-8-19-6-7-24(35)22(13-19)26(27,28)29;2*1-17-14-29-23(24(38)31-26-32-34-35-33-26)16-36(17)15-19-3-2-4-20(13-19)22-10-12-28-25(30-22)27-11-9-18-5-7-21(37)8-6-18;1-18-16-31(19(2)15-29-18)17-21-5-4-6-22(13-21)23-10-12-28-26(30-23)27-11-9-20-7-8-25(24(32)14-20)35(3,33)34;1-18-16-31(19(2)15-29-18)17-21-5-4-6-22(13-21)23-10-12-28-26(30-23)27-11-9-20-7-8-25(34(3)33)24(32)14-20;1-17-15-31(18(2)14-29-17)16-20-4-3-5-21(12-20)22-9-11-28-25(30-22)27-10-8-19-6-7-24(23(32)13-19)35-36(26,33)34;1-17-14-29-23(24(26)33)16-31(17)15-19-3-2-4-20(13-19)22-10-12-28-25(30-22)27-11-9-18-5-7-21(32)8-6-18/h6-10,12,14-16,20-21,32,35H,11,13,17-19H2,1-5H3,(H,30,31,33);5-9,11,13-15,19-21,31,34H,10,12,16-18H2,1-4H3,(H,29,30,32);5-9,11,13-15,19-20,30,33H,4,10,12,16-18H2,1-3H3,(H,28,29,31);3-7,9,11-13,17-18,32,35H,8,10,14-16H2,1-2H3,(H,30,31,33);2*2-8,10,12-13,17,23,26,29,37H,9,11,14-16H2,1H3,(H,31,38)(H,27,28,30);4-8,10,12-14,18-19,29,32H,9,11,15-17H2,1-3H3,(H,27,28,30);4-8,10,12-14,18-19,29,32H,9,11,15-17H2,1-3H3,(H,27,28,30);3-7,9,11-13,17-18,29,32H,8,10,14-16H2,1-2H3,(H2,26,33,34)(H,27,28,30);2-8,10,12-13,17,23,29,32H,9,11,14-16H2,1H3,(H2,26,33)(H,27,28,30)/t2*20-,21-;19-,20-;17-,18-;17-,23+;17-,23-;18-,19-;18-,19-,34?;17-,18-;17-,23+/m0000000000/s1.
What are the key properties of 2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide?
2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide has a molecular weight of 4828.15 g/mol, XLogP of 35.48, 81 rotatable bonds, 34 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-ethylphenol;[4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-hydroxyphenyl] sulfamate;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfinylphenol;5-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-methylsulfonylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-propan-2-ylphenol;4-[2-[[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;(2S,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide;(2R,5S)-4-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-(5H-tetrazol-5-yl)piperazine-2-carboxamide is sourced from PubChem (CID 160969020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).