N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol

C217H266Cl3F5N40O11S2 — CID 158361518

IUPACN-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESCCCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1)C1CCNCC1.CCCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(F)c3)n2)c1)C1CCNCC1.CCCN(Cc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1)C1CCNCC1.CCCN1CCC(N(CC)Cc2cccc(-c3ccnc(NCCc4ccc(O)c(F)c4)n3)c2)CC1.CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(F)c3)n2)c1)C1CCN(Cc2ccncc2)CC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1)C1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(F)c3)n2)c1)C1CCNCC1.Oc1ccc(CCNc2nccc(-c3cccc(CCC4CCNCC4)c3)n2)cc1Cl
InChIInChI=1S/C32H37FN6O.C29H38FN5O.C27H34ClN5O.C27H34FN5O.C27H34FN5.C25H30ClN5O3S.C25H29ClN4O.C25H30FN5O3S/c1-2-39(28-12-18-38(19-13-28)22-25-8-14-34-15-9-25)23-26-4-3-5-27(20-26)30-11-17-36-32(37-30)35-16-10-24-6-7-31(40)29(33)21-24;1-3-16-34-17-12-25(13-18-34)35(4-2)21-23-6-5-7-24(19-23)27-11-15-32-29(33-27)31-14-10-22-8-9-28(36)26(30)20-22;2*1-2-16-33(23-9-12-29-13-10-23)19-21-4-3-5-22(17-21)25-11-15-31-27(32-25)30-14-8-20-6-7-26(34)24(28)18-20;1-2-17-33(25-10-13-29-14-11-25)20-22-6-3-7-23(18-22)26-12-16-31-27(32-26)30-15-9-21-5-4-8-24(28)19-21;1-35(33,34)31(21-8-11-27-12-9-21)17-19-3-2-4-20(15-19)23-10-14-29-25(30-23)28-13-7-18-5-6-24(32)22(26)16-18;26-22-17-20(6-7-24(22)31)10-14-28-25-29-15-11-23(30-25)21-3-1-2-19(16-21)5-4-18-8-12-27-13-9-18;1-35(33,34)31(21-8-11-27-12-9-21)17-19-3-2-4-20(15-19)23-10-14-29-25(30-23)28-13-7-18-5-6-24(32)22(26)16-18/h3-9,11,14-15,17,20-21,28,40H,2,10,12-13,16,18-19,22-23H2,1H3,(H,35,36,37);5-9,11,15,19-20,25,36H,3-4,10,12-14,16-18,21H2,1-2H3,(H,31,32,33);2*3-7,11,15,17-18,23,29,34H,2,8-10,12-14,16,19H2,1H3,(H,30,31,32);3-8,12,16,18-19,25,29H,2,9-11,13-15,17,20H2,1H3,(H,30,31,32);2-6,10,14-16,21,27,32H,7-9,11-13,17H2,1H3,(H,28,29,30);1-3,6-7,11,15-18,27,31H,4-5,8-10,12-14H2,(H,28,29,30);2-6,10,14-16,21,27,32H,7-9,11-13,17H2,1H3,(H,28,29,30)
InChIKeyGTNHBVIGJBBAOE-UHFFFAOYSA-N
MW3876.27 g/mol
LogP37.41
Rot. Bonds78

About N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol

N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol (PubChem CID 158361518) has the molecular formula C217H266Cl3F5N40O11S2 and a molecular weight of 3876.27 g/mol. Its IUPAC name is N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound NameN-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
PubChem CID158361518
Molecular FormulaC217H266Cl3F5N40O11S2
Molecular Weight3876.27 g/mol
Exact Mass3871.99
IUPAC NameN-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESCCCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1)C1CCNCC1.CCCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(F)c3)n2)c1)C1CCNCC1.CCCN(Cc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1)C1CCNCC1.CCCN1CCC(N(CC)Cc2cccc(-c3ccnc(NCCc4ccc(O)c(F)c4)n3)c2)CC1.CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(F)c3)n2)c1)C1CCN(Cc2ccncc2)CC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1)C1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(F)c3)n2)c1)C1CCNCC1.Oc1ccc(CCNc2nccc(-c3cccc(CCC4CCNCC4)c3)n2)cc1Cl
InChIInChI=1S/C32H37FN6O.C29H38FN5O.C27H34ClN5O.C27H34FN5O.C27H34FN5.C25H30ClN5O3S.C25H29ClN4O.C25H30FN5O3S/c1-2-39(28-12-18-38(19-13-28)22-25-8-14-34-15-9-25)23-26-4-3-5-27(20-26)30-11-17-36-32(37-30)35-16-10-24-6-7-31(40)29(33)21-24;1-3-16-34-17-12-25(13-18-34)35(4-2)21-23-6-5-7-24(19-23)27-11-15-32-29(33-27)31-14-10-22-8-9-28(36)26(30)20-22;2*1-2-16-33(23-9-12-29-13-10-23)19-21-4-3-5-22(17-21)25-11-15-31-27(32-25)30-14-8-20-6-7-26(34)24(28)18-20;1-2-17-33(25-10-13-29-14-11-25)20-22-6-3-7-23(18-22)26-12-16-31-27(32-26)30-15-9-21-5-4-8-24(28)19-21;1-35(33,34)31(21-8-11-27-12-9-21)17-19-3-2-4-20(15-19)23-10-14-29-25(30-23)28-13-7-18-5-6-24(32)22(26)16-18;26-22-17-20(6-7-24(22)31)10-14-28-25-29-15-11-23(30-25)21-3-1-2-19(16-21)5-4-18-8-12-27-13-9-18;1-35(33,34)31(21-8-11-27-12-9-21)17-19-3-2-4-20(15-19)23-10-14-29-25(30-23)28-13-7-18-5-6-24(32)22(26)16-18/h3-9,11,14-15,17,20-21,28,40H,2,10,12-13,16,18-19,22-23H2,1H3,(H,35,36,37);5-9,11,15,19-20,25,36H,3-4,10,12-14,16-18,21H2,1-2H3,(H,31,32,33);2*3-7,11,15,17-18,23,29,34H,2,8-10,12-14,16,19H2,1H3,(H,30,31,32);3-8,12,16,18-19,25,29H,2,9-11,13-15,17,20H2,1H3,(H,30,31,32);2-6,10,14-16,21,27,32H,7-9,11-13,17H2,1H3,(H,28,29,30);1-3,6-7,11,15-18,27,31H,4-5,8-10,12-14H2,(H,28,29,30);2-6,10,14-16,21,27,32H,7-9,11-13,17H2,1H3,(H,28,29,30)
InChIKeyGTNHBVIGJBBAOE-UHFFFAOYSA-N
XLogP37.41
TPSA626.60 Ų
H-Bond Donors21
H-Bond Acceptors49
Rotatable Bonds78
Heavy Atoms278
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003876.27
LogP ≤ 537.41
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1049

Analyze N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol with MolForge

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Related Compounds

N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
CID 58199816
N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]-5-fluoropyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
CID 58603415
Tert-butyl 4-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]-5-fluoropyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate
CID 58603466
N-(3-aminopropyl)-N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]-5-fluoropyrimidin-4-yl]phenyl]methyl]methanesulfonamide
CID 58603752
2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]-[2-(4-hydroxyphenyl)ethyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292563
2-chloro-4-[2-[[4-[3-[[2-(3,5-difluorophenyl)ethyl-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]-[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyrimidin-2-yl]amino]ethyl]phenol
CID 139292879
N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 155479031
N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
CID 58199852
N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 58199954
N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide
CID 58603388
N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
CID 58603390
N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 58603425

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The IUPAC name of N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol (CID 158361518) is N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The canonical SMILES for N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol is CCCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1)C1CCNCC1.CCCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(F)c3)n2)c1)C1CCNCC1.CCCN(Cc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1)C1CCNCC1.CCCN1CCC(N(CC)Cc2cccc(-c3ccnc(NCCc4ccc(O)c(F)c4)n3)c2)CC1.CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(F)c3)n2)c1)C1CCN(Cc2ccncc2)CC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1)C1CCNCC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(F)c3)n2)c1)C1CCNCC1.Oc1ccc(CCNc2nccc(-c3cccc(CCC4CCNCC4)c3)n2)cc1Cl.
What is the InChIKey of N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The InChIKey is GTNHBVIGJBBAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN6O.C29H38FN5O.C27H34ClN5O.C27H34FN5O.C27H34FN5.C25H30ClN5O3S.C25H29ClN4O.C25H30FN5O3S/c1-2-39(28-12-18-38(19-13-28)22-25-8-14-34-15-9-25)23-26-4-3-5-27(20-26)30-11-17-36-32(37-30)35-16-10-24-6-7-31(40)29(33)21-24;1-3-16-34-17-12-25(13-18-34)35(4-2)21-23-6-5-7-24(19-23)27-11-15-32-29(33-27)31-14-10-22-8-9-28(36)26(30)20-22;2*1-2-16-33(23-9-12-29-13-10-23)19-21-4-3-5-22(17-21)25-11-15-31-27(32-25)30-14-8-20-6-7-26(34)24(28)18-20;1-2-17-33(25-10-13-29-14-11-25)20-22-6-3-7-23(18-22)26-12-16-31-27(32-26)30-15-9-21-5-4-8-24(28)19-21;1-35(33,34)31(21-8-11-27-12-9-21)17-19-3-2-4-20(15-19)23-10-14-29-25(30-23)28-13-7-18-5-6-24(32)22(26)16-18;26-22-17-20(6-7-24(22)31)10-14-28-25-29-15-11-23(30-25)21-3-1-2-19(16-21)5-4-18-8-12-27-13-9-18;1-35(33,34)31(21-8-11-27-12-9-21)17-19-3-2-4-20(15-19)23-10-14-29-25(30-23)28-13-7-18-5-6-24(32)22(26)16-18/h3-9,11,14-15,17,20-21,28,40H,2,10,12-13,16,18-19,22-23H2,1H3,(H,35,36,37);5-9,11,15,19-20,25,36H,3-4,10,12-14,16-18,21H2,1-2H3,(H,31,32,33);2*3-7,11,15,17-18,23,29,34H,2,8-10,12-14,16,19H2,1H3,(H,30,31,32);3-8,12,16,18-19,25,29H,2,9-11,13-15,17,20H2,1H3,(H,30,31,32);2-6,10,14-16,21,27,32H,7-9,11-13,17H2,1H3,(H,28,29,30);1-3,6-7,11,15-18,27,31H,4-5,8-10,12-14H2,(H,28,29,30);2-6,10,14-16,21,27,32H,7-9,11-13,17H2,1H3,(H,28,29,30).
What are the key properties of N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol has a molecular weight of 3876.27 g/mol, XLogP of 37.41, 78 rotatable bonds, 21 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;2-chloro-4-[2-[[4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;4-[2-[[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-2-fluorophenol;N-[[3-[2-[2-(3-fluoro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-amine;2-fluoro-4-[2-[[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 158361518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).