2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine

C146H173Cl3F2N22O4 — CID 158348231

IUPAC2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine
SMILESCC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CC(C)CCc1cccc(-c2ccnc(CCc3ccc(O)c(Cl)c3)n2)c1.CCN1CCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)C1.COc1ccc(CCCc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1Cl.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3nn[nH]n3)n2)c1
InChIInChI=1S/C27H32F2N4.C26H31ClN4O.C25H29ClN2O.C25H30N2O.C23H25ClN2O.C20H26N8/c1-3-32-12-13-33(20(2)18-32)19-22-7-4-8-23(14-22)26-10-11-30-27(31-26)9-5-6-21-15-24(28)17-25(29)16-21;1-19-17-28-13-14-31(19)18-21-6-3-7-22(15-21)24-11-12-29-26(30-24)8-4-5-20-9-10-25(32-2)23(27)16-20;1-25(2,3)14-12-19-6-4-8-20(16-19)22-13-15-27-24(28-22)9-5-7-18-10-11-23(29)21(26)17-18;1-25(2,3)16-14-20-7-4-8-21(18-20)23-15-17-26-24(27-23)9-5-6-19-10-12-22(28)13-11-19;1-16(2)6-7-17-4-3-5-19(14-17)21-12-13-25-23(26-21)11-9-18-8-10-22(27)20(24)15-18;1-15-13-21-10-11-28(15)14-16-4-2-5-17(12-16)18-8-9-22-19(23-18)6-3-7-20-24-26-27-25-20/h4,7-8,10-11,14-17,20H,3,5-6,9,12-13,18-19H2,1-2H3;3,6-7,9-12,15-16,19,28H,4-5,8,13-14,17-18H2,1-2H3;4,6,8,10-11,13,15-17,29H,5,7,9,12,14H2,1-3H3;4,7-8,10-13,15,17-18,28H,5-6,9,14,16H2,1-3H3;3-5,8,10,12-16,27H,6-7,9,11H2,1-2H3;2,4-5,8-9,12,15,21H,3,6-7,10-11,13-14H2,1H3,(H,24,25,26,27)/t20-;19-;;;;15-/m00...0/s1
InChIKeyGRZNZBCSICMGSE-OROHQCTBSA-N
MW2444.49 g/mol
LogP30.06
Rot. Bonds44

About 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine

2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine (PubChem CID 158348231) has the molecular formula C146H173Cl3F2N22O4 and a molecular weight of 2444.49 g/mol. Its IUPAC name is 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine
PubChem CID158348231
Molecular FormulaC146H173Cl3F2N22O4
Molecular Weight2444.49 g/mol
Exact Mass2441.30
IUPAC Name2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine
SMILESCC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CC(C)CCc1cccc(-c2ccnc(CCc3ccc(O)c(Cl)c3)n2)c1.CCN1CCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)C1.COc1ccc(CCCc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1Cl.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3nn[nH]n3)n2)c1
InChIInChI=1S/C27H32F2N4.C26H31ClN4O.C25H29ClN2O.C25H30N2O.C23H25ClN2O.C20H26N8/c1-3-32-12-13-33(20(2)18-32)19-22-7-4-8-23(14-22)26-10-11-30-27(31-26)9-5-6-21-15-24(28)17-25(29)16-21;1-19-17-28-13-14-31(19)18-21-6-3-7-22(15-21)24-11-12-29-26(30-24)8-4-5-20-9-10-25(32-2)23(27)16-20;1-25(2,3)14-12-19-6-4-8-20(16-19)22-13-15-27-24(28-22)9-5-7-18-10-11-23(29)21(26)17-18;1-25(2,3)16-14-20-7-4-8-21(18-20)23-15-17-26-24(27-23)9-5-6-19-10-12-22(28)13-11-19;1-16(2)6-7-17-4-3-5-19(14-17)21-12-13-25-23(26-21)11-9-18-8-10-22(27)20(24)15-18;1-15-13-21-10-11-28(15)14-16-4-2-5-17(12-16)18-8-9-22-19(23-18)6-3-7-20-24-26-27-25-20/h4,7-8,10-11,14-17,20H,3,5-6,9,12-13,18-19H2,1-2H3;3,6-7,9-12,15-16,19,28H,4-5,8,13-14,17-18H2,1-2H3;4,6,8,10-11,13,15-17,29H,5,7,9,12,14H2,1-3H3;4,7-8,10-13,15,17-18,28H,5-6,9,14,16H2,1-3H3;3-5,8,10,12-16,27H,6-7,9,11H2,1-2H3;2,4-5,8-9,12,15,21H,3,6-7,10-11,13-14H2,1H3,(H,24,25,26,27)/t20-;19-;;;;15-/m00...0/s1
InChIKeyGRZNZBCSICMGSE-OROHQCTBSA-N
XLogP30.06
TPSA316.08 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds44
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002444.49
LogP ≤ 530.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine with MolForge

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Related Compounds

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
CID 157798400
CID 157798400
2-Chloro-4-[2-[[5-[2-chloro-4-[2-[[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenoxy]-4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 155117195
2-chloro-4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-(4-pyridin-2-ylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-(4-pyridin-3-ylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-(4-pyridin-4-ylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine
CID 157166909
2-chloro-4-[3-[4-[3-(ethylaminomethyl)phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide;N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide;N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
CID 157178544
CID 157488744
CID 157488744
CID 157529231
CID 157529231
2-chloro-4-[3-[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[cyclohexyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-fluoro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 157804813
4-[2-[[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]amino]ethyl]-2-chlorophenol;4-[2-[[4-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-yl]amino]ethyl]phenol;2-chloro-4-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-amine;N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine
CID 157820361
CID 157951248
CID 157951248
2-Chloro-4-[3-[4-[3-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;4-[3-[4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 158040549

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine?
The IUPAC name of 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine (CID 158348231) is 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine?
The canonical SMILES for 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine is CC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CC(C)CCc1cccc(-c2ccnc(CCc3ccc(O)c(Cl)c3)n2)c1.CCN1CCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)C1.COc1ccc(CCCc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1Cl.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3nn[nH]n3)n2)c1.
What is the InChIKey of 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine?
The InChIKey is GRZNZBCSICMGSE-OROHQCTBSA-N. The full InChI is InChI=1S/C27H32F2N4.C26H31ClN4O.C25H29ClN2O.C25H30N2O.C23H25ClN2O.C20H26N8/c1-3-32-12-13-33(20(2)18-32)19-22-7-4-8-23(14-22)26-10-11-30-27(31-26)9-5-6-21-15-24(28)17-25(29)16-21;1-19-17-28-13-14-31(19)18-21-6-3-7-22(15-21)24-11-12-29-26(30-24)8-4-5-20-9-10-25(32-2)23(27)16-20;1-25(2,3)14-12-19-6-4-8-20(16-19)22-13-15-27-24(28-22)9-5-7-18-10-11-23(29)21(26)17-18;1-25(2,3)16-14-20-7-4-8-21(18-20)23-15-17-26-24(27-23)9-5-6-19-10-12-22(28)13-11-19;1-16(2)6-7-17-4-3-5-19(14-17)21-12-13-25-23(26-21)11-9-18-8-10-22(27)20(24)15-18;1-15-13-21-10-11-28(15)14-16-4-2-5-17(12-16)18-8-9-22-19(23-18)6-3-7-20-24-26-27-25-20/h4,7-8,10-11,14-17,20H,3,5-6,9,12-13,18-19H2,1-2H3;3,6-7,9-12,15-16,19,28H,4-5,8,13-14,17-18H2,1-2H3;4,6,8,10-11,13,15-17,29H,5,7,9,12,14H2,1-3H3;4,7-8,10-13,15,17-18,28H,5-6,9,14,16H2,1-3H3;3-5,8,10,12-16,27H,6-7,9,11H2,1-2H3;2,4-5,8-9,12,15,21H,3,6-7,10-11,13-14H2,1H3,(H,24,25,26,27)/t20-;19-;;;;15-/m00...0/s1.
What are the key properties of 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine?
2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine has a molecular weight of 2444.49 g/mol, XLogP of 30.06, 44 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3-chloro-4-methoxyphenyl)propyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(2H-tetrazol-5-yl)propyl]pyrimidine is sourced from PubChem (CID 158348231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).