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

C104H125ClF2N16O3 — CID 158040549

About 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

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 (PubChem CID 158040549) has the molecular formula C104H125ClF2N16O3 and a molecular weight of 1720.70 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158040549
• Molecular Formula: C104H125ClF2N16O3
• Molecular Weight: 1720.70 g/mol
• Exact Mass: 1718.98
• IUPAC Name: 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
• SMILES: CC1(C)CNCCN1Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.CC1(C)CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CC1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)CC(C)N1.CC1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)CC(C)N1
• InChI: InChI=1S/C26H31ClN4O.C26H30F2N4.2C26H32N4O/c1-18-15-31(16-19(2)29-18)17-21-6-3-7-22(13-21)24-11-12-28-26(30-24)8-4-5-20-9-10-25(32)23(27)14-20;1-26(2)18-29-11-12-32(26)17-20-6-3-7-21(13-20)24-9-10-30-25(31-24)8-4-5-19-14-22(27)16-23(28)15-19;1-19-16-30(17-20(2)28-19)18-22-6-3-7-23(15-22)25-13-14-27-26(29-25)8-4-5-21-9-11-24(31)12-10-21;1-26(2)19-27-15-16-30(26)18-21-6-3-7-22(17-21)24-13-14-28-25(29-24)8-4-5-20-9-11-23(31)12-10-20/h3,6-7,9-14,18-19,29,32H,4-5,8,15-17H2,1-2H3;3,6-7,9-10,13-16,29H,4-5,8,11-12,17-18H2,1-2H3;3,6-7,9-15,19-20,28,31H,4-5,8,16-18H2,1-2H3;3,6-7,9-14,17,27,31H,4-5,8,15-16,18-19H2,1-2H3
• InChIKey: FIHLLPNEIWGOFD-UHFFFAOYSA-N
• XLogP: 18.06
• TPSA: 224.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 28
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1720.70
LogP ≤ 5	18.06
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1(C)CNCCN1Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.CC1(C)CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CC1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)CC(C)N1.CC1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)CC(C)N1.

What is the InChIKey of 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?

The InChIKey is FIHLLPNEIWGOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O.C26H30F2N4.2C26H32N4O/c1-18-15-31(16-19(2)29-18)17-21-6-3-7-22(13-21)24-11-12-28-26(30-24)8-4-5-20-9-10-25(32)23(27)14-20;1-26(2)18-29-11-12-32(26)17-20-6-3-7-21(13-20)24-9-10-30-25(31-24)8-4-5-19-14-22(27)16-23(28)15-19;1-19-16-30(17-20(2)28-19)18-22-6-3-7-23(15-22)25-13-14-27-26(29-25)8-4-5-21-9-11-24(31)12-10-21;1-26(2)19-27-15-16-30(26)18-21-6-3-7-22(17-21)24-13-14-28-25(29-24)8-4-5-20-9-11-23(31)12-10-20/h3,6-7,9-14,18-19,29,32H,4-5,8,15-17H2,1-2H3;3,6-7,9-10,13-16,29H,4-5,8,11-12,17-18H2,1-2H3;3,6-7,9-15,19-20,28,31H,4-5,8,16-18H2,1-2H3;3,6-7,9-14,17,27,31H,4-5,8,15-16,18-19H2,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 1720.70 g/mol, XLogP of 18.06, 28 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158040549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).