4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol

C153H194N30O7S — CID 159975156

IUPAC4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESC.CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1)C[C@H]1CCCN1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(O)c3)n2)c1)C[C@H]1CCNC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1)C[C@@H]1CCCN1.C[C@@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)[C@@H](C)CN1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(NCCc3cccc(O)c3)n2)c1.Cc1ccc(CCNc2nccc(-c3cccc(CN[C@@H]4CCNC[C@H]4C)c3)n2)cc1
InChIInChI=1S/2C26H33N5O.C26H33N5.C25H31N5O3S.C25H31N5O.C24H29N5O.CH4/c1-2-31(19-22-9-12-27-17-22)18-21-6-3-7-23(15-21)25-11-14-29-26(30-25)28-13-10-20-5-4-8-24(32)16-20;1-2-31(19-23-7-4-14-27-23)18-21-5-3-6-22(17-21)25-13-16-29-26(30-25)28-15-12-20-8-10-24(32)11-9-20;1-19-6-8-21(9-7-19)10-14-28-26-29-15-12-25(31-26)23-5-3-4-22(16-23)18-30-24-11-13-27-17-20(24)2;1-34(32,33)30(18-22-6-3-13-26-22)17-20-4-2-5-21(16-20)24-12-15-28-25(29-24)27-14-11-19-7-9-23(31)10-8-19;1-18-16-30(19(2)15-28-18)17-21-4-3-5-22(14-21)24-11-13-27-25(29-24)26-12-10-20-6-8-23(31)9-7-20;1-18-16-25-12-13-29(18)17-20-5-2-6-21(14-20)23-9-11-27-24(28-23)26-10-8-19-4-3-7-22(30)15-19;/h3-8,11,14-16,22,27,32H,2,9-10,12-13,17-19H2,1H3,(H,28,29,30);3,5-6,8-11,13,16-17,23,27,32H,2,4,7,12,14-15,18-19H2,1H3,(H,28,29,30);3-9,12,15-16,20,24,27,30H,10-11,13-14,17-18H2,1-2H3,(H,28,29,31);2,4-5,7-10,12,15-16,22,26,31H,3,6,11,13-14,17-18H2,1H3,(H,27,28,29);3-9,11,13-14,18-19,28,31H,10,12,15-17H2,1-2H3,(H,26,27,29);2-7,9,11,14-15,18,25,30H,8,10,12-13,16-17H2,1H3,(H,26,27,28);1H4/t22-;23-;20-,24-;22-;18-,19+;18-;/m011010./s1
InChIKeyOFBCOBAZHMTRCY-OTDXCNRJSA-N
MW2597.50 g/mol
LogP22.84
Rot. Bonds52

About 4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol

4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol (PubChem CID 159975156) has the molecular formula C153H194N30O7S and a molecular weight of 2597.50 g/mol. Its IUPAC name is 4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
PubChem CID159975156
Molecular FormulaC153H194N30O7S
Molecular Weight2597.50 g/mol
Exact Mass2595.55
IUPAC Name4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESC.CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1)C[C@H]1CCCN1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(O)c3)n2)c1)C[C@H]1CCNC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1)C[C@@H]1CCCN1.C[C@@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)[C@@H](C)CN1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(NCCc3cccc(O)c3)n2)c1.Cc1ccc(CCNc2nccc(-c3cccc(CN[C@@H]4CCNC[C@H]4C)c3)n2)cc1
InChIInChI=1S/2C26H33N5O.C26H33N5.C25H31N5O3S.C25H31N5O.C24H29N5O.CH4/c1-2-31(19-22-9-12-27-17-22)18-21-6-3-7-23(15-21)25-11-14-29-26(30-25)28-13-10-20-5-4-8-24(32)16-20;1-2-31(19-23-7-4-14-27-23)18-21-5-3-6-22(17-21)25-13-16-29-26(30-25)28-15-12-20-8-10-24(32)11-9-20;1-19-6-8-21(9-7-19)10-14-28-26-29-15-12-25(31-26)23-5-3-4-22(16-23)18-30-24-11-13-27-17-20(24)2;1-34(32,33)30(18-22-6-3-13-26-22)17-20-4-2-5-21(16-20)24-12-15-28-25(29-24)27-14-11-19-7-9-23(31)10-8-19;1-18-16-30(19(2)15-28-18)17-21-4-3-5-22(14-21)24-11-13-27-25(29-24)26-12-10-20-6-8-23(31)9-7-20;1-18-16-25-12-13-29(18)17-20-5-2-6-21(14-20)23-9-11-27-24(28-23)26-10-8-19-4-3-7-22(30)15-19;/h3-8,11,14-16,22,27,32H,2,9-10,12-13,17-19H2,1H3,(H,28,29,30);3,5-6,8-11,13,16-17,23,27,32H,2,4,7,12,14-15,18-19H2,1H3,(H,28,29,30);3-9,12,15-16,20,24,27,30H,10-11,13-14,17-18H2,1-2H3,(H,28,29,31);2,4-5,7-10,12,15-16,22,26,31H,3,6,11,13-14,17-18H2,1H3,(H,27,28,29);3-9,11,13-14,18-19,28,31H,10,12,15-17H2,1-2H3,(H,26,27,29);2-7,9,11,14-15,18,25,30H,8,10,12-13,16-17H2,1H3,(H,26,27,28);1H4/t22-;23-;20-,24-;22-;18-,19+;18-;/m011010./s1
InChIKeyOFBCOBAZHMTRCY-OTDXCNRJSA-N
XLogP22.84
TPSA462.56 Ų
H-Bond Donors18
H-Bond Acceptors36
Rotatable Bonds52
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002597.50
LogP ≤ 522.84
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1036

Analyze 4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol (CID 159975156) is 4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol is C.CCN(Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1)C[C@H]1CCCN1.CCN(Cc1cccc(-c2ccnc(NCCc3cccc(O)c3)n2)c1)C[C@H]1CCNC1.CS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1)C[C@@H]1CCCN1.C[C@@H]1CN(Cc2cccc(-c3ccnc(NCCc4ccc(O)cc4)n3)c2)[C@@H](C)CN1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(NCCc3cccc(O)c3)n2)c1.Cc1ccc(CCNc2nccc(-c3cccc(CN[C@@H]4CCNC[C@H]4C)c3)n2)cc1.
What is the InChIKey of 4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The InChIKey is OFBCOBAZHMTRCY-OTDXCNRJSA-N. The full InChI is InChI=1S/2C26H33N5O.C26H33N5.C25H31N5O3S.C25H31N5O.C24H29N5O.CH4/c1-2-31(19-22-9-12-27-17-22)18-21-6-3-7-23(15-21)25-11-14-29-26(30-25)28-13-10-20-5-4-8-24(32)16-20;1-2-31(19-23-7-4-14-27-23)18-21-5-3-6-22(17-21)25-13-16-29-26(30-25)28-15-12-20-8-10-24(32)11-9-20;1-19-6-8-21(9-7-19)10-14-28-26-29-15-12-25(31-26)23-5-3-4-22(16-23)18-30-24-11-13-27-17-20(24)2;1-34(32,33)30(18-22-6-3-13-26-22)17-20-4-2-5-21(16-20)24-12-15-28-25(29-24)27-14-11-19-7-9-23(31)10-8-19;1-18-16-30(19(2)15-28-18)17-21-4-3-5-22(14-21)24-11-13-27-25(29-24)26-12-10-20-6-8-23(31)9-7-20;1-18-16-25-12-13-29(18)17-20-5-2-6-21(14-20)23-9-11-27-24(28-23)26-10-8-19-4-3-7-22(30)15-19;/h3-8,11,14-16,22,27,32H,2,9-10,12-13,17-19H2,1H3,(H,28,29,30);3,5-6,8-11,13,16-17,23,27,32H,2,4,7,12,14-15,18-19H2,1H3,(H,28,29,30);3-9,12,15-16,20,24,27,30H,10-11,13-14,17-18H2,1-2H3,(H,28,29,31);2,4-5,7-10,12,15-16,22,26,31H,3,6,11,13-14,17-18H2,1H3,(H,27,28,29);3-9,11,13-14,18-19,28,31H,10,12,15-17H2,1-2H3,(H,26,27,29);2-7,9,11,14-15,18,25,30H,8,10,12-13,16-17H2,1H3,(H,26,27,28);1H4/t22-;23-;20-,24-;22-;18-,19+;18-;/m011010./s1.
What are the key properties of 4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol has a molecular weight of 2597.50 g/mol, XLogP of 22.84, 52 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;3-[2-[[4-[3-[[ethyl-[[(3S)-pyrrolidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;4-[2-[[4-[3-[[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide;methane;N-[2-(4-methylphenyl)ethyl]-4-[3-[[[(3R,4R)-3-methylpiperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-amine;3-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 159975156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).