4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

C131H152Cl2F9N23O3 — CID 157324139

About 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 157324139) has the molecular formula C131H152Cl2F9N23O3 and a molecular weight of 2338.70 g/mol. Its IUPAC name is 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

• Compound Name: 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
• PubChem CID: 157324139
• Molecular Formula: C131H152Cl2F9N23O3
• Molecular Weight: 2338.70 g/mol
• Exact Mass: 2336.17
• IUPAC Name: 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
• SMILES: CCC1CNCCN1Cc1ccc(C)c(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.CCN(CCCN)Cc1cccc(-c2ncc(F)c(NCCc3ccc(O)cc3)n2)c1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(C(F)(F)F)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4cc(Cl)c5[nH]cc(Cl)c5c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN[C@@H](C(F)(F)F)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1
• InChI: InChI=1S/C27H30Cl2N6.C27H31F3N4O.C27H32F2N4.C26H29F3N4O.C24H30FN5O/c1-17-15-35(18(2)13-32-17)16-20-4-3-5-21(10-20)25-7-9-31-27(34-25)30-8-6-19-11-22-24(29)14-33-26(22)23(28)12-19;1-18-16-34(19(2)15-32-18)17-21-6-3-7-22(13-21)24-11-12-31-26(33-24)8-4-5-20-9-10-25(35)23(14-20)27(28,29)30;1-3-24-17-30-11-12-33(24)18-21-8-7-19(2)25(15-21)26-9-10-31-27(32-26)6-4-5-20-13-22(28)16-23(29)14-20;1-18-15-31-24(26(27,28)29)17-33(18)16-20-5-2-6-21(14-20)23-12-13-30-25(32-23)7-3-4-19-8-10-22(34)11-9-19;1-2-30(14-4-12-26)17-19-5-3-6-20(15-19)23-28-16-22(25)24(29-23)27-13-11-18-7-9-21(31)10-8-18/h3-5,7,9-12,14,17-18,32-33H,6,8,13,15-16H2,1-2H3,(H,30,31,34);3,6-7,9-14,18-19,32,35H,4-5,8,15-17H2,1-2H3;7-10,13-16,24,30H,3-6,11-12,17-18H2,1-2H3;2,5-6,8-14,18,24,31,34H,3-4,7,15-17H2,1H3;3,5-10,15-16,31H,2,4,11-14,17,26H2,1H3,(H,27,28,29)/t17-,18-;18-,19-;;18-,24+;/m00.0./s1
• InChIKey: BEMXUMSXRFGRKQ-JURYPHSJSA-N
• XLogP: 24.65
• TPSA: 319.78 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 40
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2338.70
LogP ≤ 5	24.65
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

The IUPAC name of 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (CID 157324139) is 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

What is the SMILES notation for 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

The canonical SMILES for 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is CCC1CNCCN1Cc1ccc(C)c(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.CCN(CCCN)Cc1cccc(-c2ncc(F)c(NCCc3ccc(O)cc3)n2)c1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(C(F)(F)F)c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN(Cc2cccc(-c3ccnc(NCCc4cc(Cl)c5[nH]cc(Cl)c5c4)n3)c2)[C@@H](C)CN1.C[C@H]1CN[C@@H](C(F)(F)F)CN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.

What is the InChIKey of 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

The InChIKey is BEMXUMSXRFGRKQ-JURYPHSJSA-N. The full InChI is InChI=1S/C27H30Cl2N6.C27H31F3N4O.C27H32F2N4.C26H29F3N4O.C24H30FN5O/c1-17-15-35(18(2)13-32-17)16-20-4-3-5-21(10-20)25-7-9-31-27(34-25)30-8-6-19-11-22-24(29)14-33-26(22)23(28)12-19;1-18-16-34(19(2)15-32-18)17-21-6-3-7-22(13-21)24-11-12-31-26(33-24)8-4-5-20-9-10-25(35)23(14-20)27(28,29)30;1-3-24-17-30-11-12-33(24)18-21-8-7-19(2)25(15-21)26-9-10-31-27(32-26)6-4-5-20-13-22(28)16-23(29)14-20;1-18-15-31-24(26(27,28)29)17-33(18)16-20-5-2-6-21(14-20)23-12-13-30-25(32-23)7-3-4-19-8-10-22(34)11-9-19;1-2-30(14-4-12-26)17-19-5-3-6-20(15-19)23-28-16-22(25)24(29-23)27-13-11-18-7-9-21(31)10-8-18/h3-5,7,9-12,14,17-18,32-33H,6,8,13,15-16H2,1-2H3,(H,30,31,34);3,6-7,9-14,18-19,32,35H,4-5,8,15-17H2,1-2H3;7-10,13-16,24,30H,3-6,11-12,17-18H2,1-2H3;2,5-6,8-14,18,24,31,34H,3-4,7,15-17H2,1H3;3,5-10,15-16,31H,2,4,11-14,17,26H2,1H3,(H,27,28,29)/t17-,18-;18-,19-;;18-,24+;/m00.0./s1.

What are the key properties of 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 2338.70 g/mol, XLogP of 24.65, 40 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[2-[3-[[3-aminopropyl(ethyl)amino]methyl]phenyl]-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;N-[2-(3,7-dichloro-1H-indol-5-yl)ethyl]-4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 157324139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).