4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

C162H197F6N23O4 — CID 158390741

About 4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 158390741) has the molecular formula C162H197F6N23O4 and a molecular weight of 2644.50 g/mol. Its IUPAC name is 4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

• Compound Name: 4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
• PubChem CID: 158390741
• Molecular Formula: C162H197F6N23O4
• Molecular Weight: 2644.50 g/mol
• Exact Mass: 2642.58
• IUPAC Name: 4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
• SMILES: CC1NCCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)C1C.CCN(CCN1CCNCC1)Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(OC)c3)n2)c1)C1CCNCC1.COc1ccc(CCCc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1O.C[C@@H]1CN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)CN1.Oc1ccc(CCCc2nccc(-c3cccc(CCCCC4CCCC4)c3)n2)cc1
• InChI: InChI=1S/C28H35F2N5.C28H36N4O.C28H34N2O.2C26H30F2N4.C26H32N4O2/c1-2-34(15-16-35-13-11-31-12-14-35)21-23-6-3-7-24(17-23)27-9-10-32-28(33-27)8-4-5-22-18-25(29)20-26(30)19-22;1-3-32(25-13-16-29-17-14-25)21-23-9-4-10-24(19-23)27-15-18-30-28(31-27)12-6-8-22-7-5-11-26(20-22)33-2;31-26-17-15-23(16-18-26)11-6-14-28-29-20-19-27(30-28)25-13-5-12-24(21-25)10-4-3-9-22-7-1-2-8-22;1-18-16-32(19(2)15-30-18)17-21-6-3-7-22(11-21)25-9-10-29-26(31-25)8-4-5-20-12-23(27)14-24(28)13-20;1-18-19(2)32(12-11-29-18)17-21-6-3-7-22(13-21)25-9-10-30-26(31-25)8-4-5-20-14-23(27)16-24(28)15-20;1-19-17-27-13-14-30(19)18-21-6-3-7-22(15-21)23-11-12-28-26(29-23)8-4-5-20-9-10-25(32-2)24(31)16-20/h3,6-7,9-10,17-20,31H,2,4-5,8,11-16,21H2,1H3;4-5,7,9-11,15,18-20,25,29H,3,6,8,12-14,16-17,21H2,1-2H3;5,12-13,15-22,31H,1-4,6-11,14H2;3,6-7,9-14,18-19,30H,4-5,8,15-17H2,1-2H3;3,6-7,9-10,13-16,18-19,29H,4-5,8,11-12,17H2,1-2H3;3,6-7,9-12,15-16,19,27,31H,4-5,8,13-14,17-18H2,1-2H3/t;;;18-,19+;;19-/m...1.0/s1
• InChIKey: GWXVWZKGRSYAGN-VNYCKTJCSA-N
• XLogP: 29.54
• TPSA: 293.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 53
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2644.50
LogP ≤ 5	29.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

The IUPAC name of 4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (CID 158390741) is 4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

What is the SMILES notation for 4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

The canonical SMILES for 4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is CC1NCCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)C1C.CCN(CCN1CCNCC1)Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(OC)c3)n2)c1)C1CCNCC1.COc1ccc(CCCc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1O.C[C@@H]1CN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)CN1.Oc1ccc(CCCc2nccc(-c3cccc(CCCCC4CCCC4)c3)n2)cc1.

What is the InChIKey of 4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

The InChIKey is GWXVWZKGRSYAGN-VNYCKTJCSA-N. The full InChI is InChI=1S/C28H35F2N5.C28H36N4O.C28H34N2O.2C26H30F2N4.C26H32N4O2/c1-2-34(15-16-35-13-11-31-12-14-35)21-23-6-3-7-24(17-23)27-9-10-32-28(33-27)8-4-5-22-18-25(29)20-26(30)19-22;1-3-32(25-13-16-29-17-14-25)21-23-9-4-10-24(19-23)27-15-18-30-28(31-27)12-6-8-22-7-5-11-26(20-22)33-2;31-26-17-15-23(16-18-26)11-6-14-28-29-20-19-27(30-28)25-13-5-12-24(21-25)10-4-3-9-22-7-1-2-8-22;1-18-16-32(19(2)15-30-18)17-21-6-3-7-22(11-21)25-9-10-29-26(31-25)8-4-5-20-12-23(27)14-24(28)13-20;1-18-19(2)32(12-11-29-18)17-21-6-3-7-22(13-21)25-9-10-30-26(31-25)8-4-5-20-14-23(27)16-24(28)15-20;1-19-17-27-13-14-30(19)18-21-6-3-7-22(15-21)23-11-12-28-26(29-23)8-4-5-20-9-10-25(32-2)24(31)16-20/h3,6-7,9-10,17-20,31H,2,4-5,8,11-16,21H2,1H3;4-5,7,9-11,15,18-20,25,29H,3,6,8,12-14,16-17,21H2,1-2H3;5,12-13,15-22,31H,1-4,6-11,14H2;3,6-7,9-14,18-19,30H,4-5,8,15-17H2,1-2H3;3,6-7,9-10,13-16,18-19,29H,4-5,8,11-12,17H2,1-2H3;3,6-7,9-12,15-16,19,27,31H,4-5,8,13-14,17-18H2,1-2H3/t;;;18-,19+;;19-/m...1.0/s1.

What are the key properties of 4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 2644.50 g/mol, XLogP of 29.54, 53 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethyl-2-piperazin-1-ylethanamine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 158390741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).