2-chloro-4-[3-[4-[3-[[2-cyclohexylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

C154H177Cl2F6N21O3S — CID 158478939

About 2-chloro-4-[3-[4-[3-[[2-cyclohexylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

2-chloro-4-[3-[4-[3-[[2-cyclohexylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 158478939) has the molecular formula C154H177Cl2F6N21O3S and a molecular weight of 2587.21 g/mol. Its IUPAC name is 2-chloro-4-[3-[4-[3-[[2-cyclohexylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

• Compound Name: 2-chloro-4-[3-[4-[3-[[2-cyclohexylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
• PubChem CID: 158478939
• Molecular Formula: C154H177Cl2F6N21O3S
• Molecular Weight: 2587.21 g/mol
• Exact Mass: 2584.33
• IUPAC Name: 2-chloro-4-[3-[4-[3-[[2-cyclohexylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
• SMILES: CCN(CCC1CCCCC1)Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CCN(CCC1CCCCC1)Cc1cccc(-c2ccnc(CCCc3cccs3)n2)c1.C[C@H]1CNCCN1Cc1cc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)ccc1F.C[C@H]1CNCCN1Cc1cc(-c2ccnc(CCCc3ccc(O)cc3)n2)ccc1F.C[C@H]1CNCCN1Cc1cc(-c2ccnc(CCCc3cccc(F)c3)n2)ccc1F.Oc1ccc(CCCc2nccc(-c3ccc4[nH]ccc4c3)n2)cc1Cl
• InChI: InChI=1S/C30H38ClN3O.C28H37N3S.C25H27F3N4.C25H28F2N4.C25H29FN4O.C21H18ClN3O/c1-2-34(19-17-23-8-4-3-5-9-23)22-25-11-6-12-26(20-25)28-16-18-32-30(33-28)13-7-10-24-14-15-29(35)27(31)21-24;1-2-31(19-17-23-9-4-3-5-10-23)22-24-11-6-12-25(21-24)27-16-18-29-28(30-27)15-7-13-26-14-8-20-32-26;1-17-15-29-9-10-32(17)16-20-13-19(5-6-23(20)28)24-7-8-30-25(31-24)4-2-3-18-11-21(26)14-22(27)12-18;1-18-16-28-12-13-31(18)17-21-15-20(8-9-23(21)27)24-10-11-29-25(30-24)7-3-5-19-4-2-6-22(26)14-19;1-18-16-27-13-14-30(18)17-21-15-20(7-10-23(21)26)24-11-12-28-25(29-24)4-2-3-19-5-8-22(31)9-6-19;22-17-12-14(4-7-20(17)26)2-1-3-21-24-11-9-19(25-21)15-5-6-18-16(13-15)8-10-23-18/h6,11-12,14-16,18,20-21,23,35H,2-5,7-10,13,17,19,22H2,1H3;6,8,11-12,14,16,18,20-21,23H,2-5,7,9-10,13,15,17,19,22H2,1H3;5-8,11-14,17,29H,2-4,9-10,15-16H2,1H3;2,4,6,8-11,14-15,18,28H,3,5,7,12-13,16-17H2,1H3;5-12,15,18,27,31H,2-4,13-14,16-17H2,1H3;4-13,23,26H,1-3H2/t;;17-;2*18-;/m..000./s1
• InChIKey: HHGXSMYHKCHGOY-YIAPWESASA-N
• XLogP: 32.68
• TPSA: 283.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 48
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2587.21
LogP ≤ 5	32.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[4-[3-[[2-cyclohexylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

The IUPAC name of 2-chloro-4-[3-[4-[3-[[2-cyclohexylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (CID 158478939) is 2-chloro-4-[3-[4-[3-[[2-cyclohexylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

What is the SMILES notation for 2-chloro-4-[3-[4-[3-[[2-cyclohexylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

The canonical SMILES for 2-chloro-4-[3-[4-[3-[[2-cyclohexylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is CCN(CCC1CCCCC1)Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CCN(CCC1CCCCC1)Cc1cccc(-c2ccnc(CCCc3cccs3)n2)c1.C[C@H]1CNCCN1Cc1cc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)ccc1F.C[C@H]1CNCCN1Cc1cc(-c2ccnc(CCCc3ccc(O)cc3)n2)ccc1F.C[C@H]1CNCCN1Cc1cc(-c2ccnc(CCCc3cccc(F)c3)n2)ccc1F.Oc1ccc(CCCc2nccc(-c3ccc4[nH]ccc4c3)n2)cc1Cl.

What is the InChIKey of 2-chloro-4-[3-[4-[3-[[2-cyclohexylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

The InChIKey is HHGXSMYHKCHGOY-YIAPWESASA-N. The full InChI is InChI=1S/C30H38ClN3O.C28H37N3S.C25H27F3N4.C25H28F2N4.C25H29FN4O.C21H18ClN3O/c1-2-34(19-17-23-8-4-3-5-9-23)22-25-11-6-12-26(20-25)28-16-18-32-30(33-28)13-7-10-24-14-15-29(35)27(31)21-24;1-2-31(19-17-23-9-4-3-5-10-23)22-24-11-6-12-25(21-24)27-16-18-29-28(30-27)15-7-13-26-14-8-20-32-26;1-17-15-29-9-10-32(17)16-20-13-19(5-6-23(20)28)24-7-8-30-25(31-24)4-2-3-18-11-21(26)14-22(27)12-18;1-18-16-28-12-13-31(18)17-21-15-20(8-9-23(21)27)24-10-11-29-25(30-24)7-3-5-19-4-2-6-22(26)14-19;1-18-16-27-13-14-30(18)17-21-15-20(7-10-23(21)26)24-11-12-28-25(29-24)4-2-3-19-5-8-22(31)9-6-19;22-17-12-14(4-7-20(17)26)2-1-3-21-24-11-9-19(25-21)15-5-6-18-16(13-15)8-10-23-18/h6,11-12,14-16,18,20-21,23,35H,2-5,7-10,13,17,19,22H2,1H3;6,8,11-12,14,16,18,20-21,23H,2-5,7,9-10,13,15,17,19,22H2,1H3;5-8,11-14,17,29H,2-4,9-10,15-16H2,1H3;2,4,6,8-11,14-15,18,28H,3,5,7,12-13,16-17H2,1H3;5-12,15,18,27,31H,2-4,13-14,16-17H2,1H3;4-13,23,26H,1-3H2/t;;17-;2*18-;/m..000./s1.

What are the key properties of 2-chloro-4-[3-[4-[3-[[2-cyclohexylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

2-chloro-4-[3-[4-[3-[[2-cyclohexylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 2587.21 g/mol, XLogP of 32.68, 48 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[3-[4-[3-[[2-cyclohexylethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-(1H-indol-5-yl)pyrimidin-2-yl]propyl]phenol;2-cyclohexyl-N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]ethanamine;2-[3-(3,5-difluorophenyl)propyl]-4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-[3-(3-fluorophenyl)propyl]pyrimidine;4-[3-[4-[4-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 158478939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).