4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine

C170H169BrN24OS — CID 161320612

About 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine

4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine (PubChem CID 161320612) has the molecular formula C170H169BrN24OS and a molecular weight of 2676.36 g/mol. Its IUPAC name is 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine.

Molecular Properties

• Compound Name: 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine
• PubChem CID: 161320612
• Molecular Formula: C170H169BrN24OS
• Molecular Weight: 2676.36 g/mol
• Exact Mass: 2673.28
• IUPAC Name: 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine
• SMILES: C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CC(C)OC(C)C4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CC=CC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CCN(c5ncccn5)CC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CCSC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cnc(-c5ccccc5)n4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cncc4Br)cc3C)n2)cc1
• InChI: InChI=1S/C31H32N6.C31H27N5.C29H33N3O.C27H27N3.C26H23BrN4.C26H27N3S/c1-4-25-6-8-26(9-7-25)20-30-32-13-10-28(35-30)21-29-23(2)18-27(19-24(29)3)22-36-14-16-37(17-15-36)31-33-11-5-12-34-31;1-4-24-10-12-25(13-11-24)18-30-32-15-14-28(34-30)19-29-22(2)16-26(17-23(29)3)20-36-21-33-31(35-36)27-8-6-5-7-9-27;1-6-24-7-9-25(10-8-24)15-29-30-12-11-27(31-29)16-28-20(2)13-26(14-21(28)3)19-32-17-22(4)33-23(5)18-32;1-4-22-7-9-23(10-8-22)17-27-28-12-11-25(29-27)18-26-20(2)15-24(16-21(26)3)19-30-13-5-6-14-30;1-4-20-5-7-21(8-6-20)13-26-29-10-9-23(30-26)14-24-18(2)11-22(12-19(24)3)16-31-17-28-15-25(31)27;1-4-21-5-7-22(8-6-21)15-26-27-10-9-24(28-26)16-25-19(2)13-23(14-20(25)3)17-29-11-12-30-18-29/h1,5-13,18-19H,14-17,20-22H2,2-3H3;1,5-17,21H,18-20H2,2-3H3;1,7-14,22-23H,15-19H2,2-5H3;1,5-12,15-16H,13-14,17-19H2,2-3H3;1,5-12,15,17H,13-14,16H2,2-3H3;1,5-10,13-14H,11-12,15-18H2,2-3H3
• InChIKey: VKBZWSRKCJGMGF-UHFFFAOYSA-N
• XLogP: 29.45
• TPSA: 254.42 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 38
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2676.36
LogP ≤ 5	29.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine?

The IUPAC name of 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine (CID 161320612) is 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine.

What is the SMILES notation for 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine?

The canonical SMILES for 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine is C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CC(C)OC(C)C4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CC=CC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CCN(c5ncccn5)CC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(CN4CCSC4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cnc(-c5ccccc5)n4)cc3C)n2)cc1.C#Cc1ccc(Cc2nccc(Cc3c(C)cc(Cn4cncc4Br)cc3C)n2)cc1.

What is the InChIKey of 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine?

The InChIKey is VKBZWSRKCJGMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6.C31H27N5.C29H33N3O.C27H27N3.C26H23BrN4.C26H27N3S/c1-4-25-6-8-26(9-7-25)20-30-32-13-10-28(35-30)21-29-23(2)18-27(19-24(29)3)22-36-14-16-37(17-15-36)31-33-11-5-12-34-31;1-4-24-10-12-25(13-11-24)18-30-32-15-14-28(34-30)19-29-22(2)16-26(17-23(29)3)20-36-21-33-31(35-36)27-8-6-5-7-9-27;1-6-24-7-9-25(10-8-24)15-29-30-12-11-27(31-29)16-28-20(2)13-26(14-21(28)3)19-32-17-22(4)33-23(5)18-32;1-4-22-7-9-23(10-8-22)17-27-28-12-11-25(29-27)18-26-20(2)15-24(16-21(26)3)19-30-13-5-6-14-30;1-4-20-5-7-21(8-6-20)13-26-29-10-9-23(30-26)14-24-18(2)11-22(12-19(24)3)16-31-17-28-15-25(31)27;1-4-21-5-7-22(8-6-21)15-26-27-10-9-24(28-26)16-25-19(2)13-23(14-20(25)3)17-29-11-12-30-18-29/h1,5-13,18-19H,14-17,20-22H2,2-3H3;1,5-17,21H,18-20H2,2-3H3;1,7-14,22-23H,15-19H2,2-5H3;1,5-12,15-16H,13-14,17-19H2,2-3H3;1,5-12,15,17H,13-14,16H2,2-3H3;1,5-10,13-14H,11-12,15-18H2,2-3H3.

What are the key properties of 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine?

4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine has a molecular weight of 2676.36 g/mol, XLogP of 29.45, 38 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[(5-bromoimidazol-1-yl)methyl]-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-(2,5-dihydropyrrol-1-ylmethyl)-2,6-dimethylphenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[2,6-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-2-[(4-ethynylphenyl)methyl]pyrimidine;4-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-2,6-dimethylmorpholine;3-[[4-[[2-[(4-ethynylphenyl)methyl]pyrimidin-4-yl]methyl]-3,5-dimethylphenyl]methyl]-1,3-thiazolidine is sourced from PubChem (CID 161320612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).