2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone

C169H209N33O9 — CID 159636476

IUPAC2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone
SMILESCC(C)c1cc(CCCc2nccc(-c3cccc(CN4C[C@H](C)NC[C@@H]4C)c3)n2)ccc1O.CCc1cc(CCCc2nccc(-c3cccc(CN4C[C@H](C)NC[C@@H]4C)c3)n2)ccc1O.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(C(C)(C)C)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN[C@@H](C(=O)CC2N=NN=N2)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@@H](C(N)=O)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@H](C(=O)CC2N=NN=N2)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1
InChIInChI=1S/C30H40N4O.C29H38N4O.2C28H32N8O2.C28H36N4O.C26H31N5O2/c1-21-19-34(22(2)18-32-21)20-24-9-6-10-25(16-24)27-14-15-31-29(33-27)11-7-8-23-12-13-28(35)26(17-23)30(3,4)5;1-20(2)26-16-23(11-12-28(26)34)7-6-10-29-30-14-13-27(32-29)25-9-5-8-24(15-25)19-33-18-21(3)31-17-22(33)4;2*1-19-16-30-25(26(38)15-28-32-34-35-33-28)18-36(19)17-21-5-2-6-22(14-21)24-12-13-29-27(31-24)7-3-4-20-8-10-23(37)11-9-20;1-4-24-15-22(11-12-27(24)33)7-6-10-28-29-14-13-26(31-28)25-9-5-8-23(16-25)19-32-18-20(2)30-17-21(32)3;1-18-15-29-24(26(27)33)17-31(18)16-20-5-2-6-21(14-20)23-12-13-28-25(30-23)7-3-4-19-8-10-22(32)11-9-19/h6,9-10,12-17,21-22,32,35H,7-8,11,18-20H2,1-5H3;5,8-9,11-16,20-22,31,34H,6-7,10,17-19H2,1-4H3;2*2,5-6,8-14,19,25,28,30,37H,3-4,7,15-18H2,1H3;5,8-9,11-16,20-21,30,33H,4,6-7,10,17-19H2,1-3H3;2,5-6,8-14,18,24,29,32H,3-4,7,15-17H2,1H3,(H2,27,33)/t2*21-,22-;19-,25+;19-,25-;20-,21-;18-,24+/m000000/s1
InChIKeyMPUSELSGQXLLOA-IIGDFYBMSA-N
MW2846.75 g/mol
LogP26.89
Rot. Bonds51

About 2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone

2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone (PubChem CID 159636476) has the molecular formula C169H209N33O9 and a molecular weight of 2846.75 g/mol. Its IUPAC name is 2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone
PubChem CID159636476
Molecular FormulaC169H209N33O9
Molecular Weight2846.75 g/mol
Exact Mass2844.69
IUPAC Name2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone
SMILESCC(C)c1cc(CCCc2nccc(-c3cccc(CN4C[C@H](C)NC[C@@H]4C)c3)n2)ccc1O.CCc1cc(CCCc2nccc(-c3cccc(CN4C[C@H](C)NC[C@@H]4C)c3)n2)ccc1O.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(C(C)(C)C)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN[C@@H](C(=O)CC2N=NN=N2)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@@H](C(N)=O)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@H](C(=O)CC2N=NN=N2)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1
InChIInChI=1S/C30H40N4O.C29H38N4O.2C28H32N8O2.C28H36N4O.C26H31N5O2/c1-21-19-34(22(2)18-32-21)20-24-9-6-10-25(16-24)27-14-15-31-29(33-27)11-7-8-23-12-13-28(35)26(17-23)30(3,4)5;1-20(2)26-16-23(11-12-28(26)34)7-6-10-29-30-14-13-27(32-29)25-9-5-8-24(15-25)19-33-18-21(3)31-17-22(33)4;2*1-19-16-30-25(26(38)15-28-32-34-35-33-28)18-36(19)17-21-5-2-6-22(14-21)24-12-13-29-27(31-24)7-3-4-20-8-10-23(37)11-9-20;1-4-24-15-22(11-12-27(24)33)7-6-10-28-29-14-13-26(31-28)25-9-5-8-23(16-25)19-32-18-20(2)30-17-21(32)3;1-18-15-29-24(26(27)33)17-31(18)16-20-5-2-6-21(14-20)23-12-13-28-25(30-23)7-3-4-19-8-10-22(32)11-9-19/h6,9-10,12-17,21-22,32,35H,7-8,11,18-20H2,1-5H3;5,8-9,11-16,20-22,31,34H,6-7,10,17-19H2,1-4H3;2*2,5-6,8-14,19,25,28,30,37H,3-4,7,15-18H2,1H3;5,8-9,11-16,20-21,30,33H,4,6-7,10,17-19H2,1-3H3;2,5-6,8-14,18,24,29,32H,3-4,7,15-17H2,1H3,(H2,27,33)/t2*21-,22-;19-,25+;19-,25-;20-,21-;18-,24+/m000000/s1
InChIKeyMPUSELSGQXLLOA-IIGDFYBMSA-N
XLogP26.89
TPSA543.79 Ų
H-Bond Donors13
H-Bond Acceptors41
Rotatable Bonds51
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002846.75
LogP ≤ 526.89
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1041

Analyze 2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone?
The IUPAC name of 2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone (CID 159636476) is 2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone.
What is the SMILES notation for 2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone?
The canonical SMILES for 2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone is CC(C)c1cc(CCCc2nccc(-c3cccc(CN4C[C@H](C)NC[C@@H]4C)c3)n2)ccc1O.CCc1cc(CCCc2nccc(-c3cccc(CN4C[C@H](C)NC[C@@H]4C)c3)n2)ccc1O.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(C(C)(C)C)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN[C@@H](C(=O)CC2N=NN=N2)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@@H](C(N)=O)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.C[C@H]1CN[C@H](C(=O)CC2N=NN=N2)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.
What is the InChIKey of 2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone?
The InChIKey is MPUSELSGQXLLOA-IIGDFYBMSA-N. The full InChI is InChI=1S/C30H40N4O.C29H38N4O.2C28H32N8O2.C28H36N4O.C26H31N5O2/c1-21-19-34(22(2)18-32-21)20-24-9-6-10-25(16-24)27-14-15-31-29(33-27)11-7-8-23-12-13-28(35)26(17-23)30(3,4)5;1-20(2)26-16-23(11-12-28(26)34)7-6-10-29-30-14-13-27(32-29)25-9-5-8-24(15-25)19-33-18-21(3)31-17-22(33)4;2*1-19-16-30-25(26(38)15-28-32-34-35-33-28)18-36(19)17-21-5-2-6-22(14-21)24-12-13-29-27(31-24)7-3-4-20-8-10-23(37)11-9-20;1-4-24-15-22(11-12-27(24)33)7-6-10-28-29-14-13-26(31-28)25-9-5-8-23(16-25)19-32-18-20(2)30-17-21(32)3;1-18-15-29-24(26(27)33)17-31(18)16-20-5-2-6-21(14-20)23-12-13-28-25(30-23)7-3-4-19-8-10-22(32)11-9-19/h6,9-10,12-17,21-22,32,35H,7-8,11,18-20H2,1-5H3;5,8-9,11-16,20-22,31,34H,6-7,10,17-19H2,1-4H3;2*2,5-6,8-14,19,25,28,30,37H,3-4,7,15-18H2,1H3;5,8-9,11-16,20-21,30,33H,4,6-7,10,17-19H2,1-3H3;2,5-6,8-14,18,24,29,32H,3-4,7,15-17H2,1H3,(H2,27,33)/t2*21-,22-;19-,25+;19-,25-;20-,21-;18-,24+/m000000/s1.
What are the key properties of 2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone?
2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone has a molecular weight of 2846.75 g/mol, XLogP of 26.89, 51 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-ethylphenol;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-propan-2-ylphenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone is sourced from PubChem (CID 159636476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).