4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine

C136H144Br8N36O26S8 — CID 161179085

About 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine

4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine (PubChem CID 161179085) has the molecular formula C136H144Br8N36O26S8 and a molecular weight of 3594.64 g/mol. Its IUPAC name is 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
• PubChem CID: 161179085
• Molecular Formula: C136H144Br8N36O26S8
• Molecular Weight: 3594.64 g/mol
• Exact Mass: 3584.23
• IUPAC Name: 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
• SMILES: CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1.CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(OC)cn2)c1-c1ccc(Br)cc1.CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Br)cc1.CN(Cc1ccccc1)S(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1.COc1cnc(OCCOc2ncnc(NS(=O)(=O)N(C)Cc3ccccc3)c2-c2ccc(Br)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)N(C)Cc3ccccc3)c2-c2ccc(Br)cc2)nc1
• InChI: InChI=1S/C25H25BrN6O5S.C25H25BrN6O4S2.C24H22Br2N6O4S.C21H25BrN6O5S.C21H25BrN6O4S2.C20H22Br2N6O4S/c1-32(16-18-6-4-3-5-7-18)38(33,34)31-23-22(19-8-10-20(26)11-9-19)24(30-17-29-23)36-12-13-37-25-27-14-21(35-2)15-28-25;1-32(16-18-6-4-3-5-7-18)38(33,34)31-23-22(19-8-10-20(26)11-9-19)24(30-17-29-23)35-12-13-36-25-27-14-21(37-2)15-28-25;1-32(15-17-5-3-2-4-6-17)37(33,34)31-22-21(18-7-9-19(25)10-8-18)23(30-16-29-22)35-11-12-36-24-27-13-20(26)14-28-24;1-3-4-9-27-34(29,30)28-19-18(15-5-7-16(22)8-6-15)20(26-14-25-19)32-10-11-33-21-23-12-17(31-2)13-24-21;1-3-4-9-27-34(29,30)28-19-18(15-5-7-16(22)8-6-15)20(26-14-25-19)31-10-11-32-21-23-12-17(33-2)13-24-21;1-2-3-8-27-33(29,30)28-18-17(14-4-6-15(21)7-5-14)19(26-13-25-18)31-9-10-32-20-23-11-16(22)12-24-20/h2*3-11,14-15,17H,12-13,16H2,1-2H3,(H,29,30,31);2-10,13-14,16H,11-12,15H2,1H3,(H,29,30,31);2*5-8,12-14,27H,3-4,9-11H2,1-2H3,(H,25,26,28);4-7,11-13,27H,2-3,8-10H2,1H3,(H,25,26,28)
• InChIKey: USEXLTPLPQYSTL-UHFFFAOYSA-N
• XLogP: 24.41
• TPSA: 761.41 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 52
• Rotatable Bonds: 73
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3594.64
LogP ≤ 5	24.41
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?

The IUPAC name of 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine (CID 161179085) is 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine.

What is the SMILES notation for 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?

The canonical SMILES for 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine is CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1.CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(OC)cn2)c1-c1ccc(Br)cc1.CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Br)cc1.CN(Cc1ccccc1)S(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1.COc1cnc(OCCOc2ncnc(NS(=O)(=O)N(C)Cc3ccccc3)c2-c2ccc(Br)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)N(C)Cc3ccccc3)c2-c2ccc(Br)cc2)nc1.

What is the InChIKey of 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?

The InChIKey is USEXLTPLPQYSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN6O5S.C25H25BrN6O4S2.C24H22Br2N6O4S.C21H25BrN6O5S.C21H25BrN6O4S2.C20H22Br2N6O4S/c1-32(16-18-6-4-3-5-7-18)38(33,34)31-23-22(19-8-10-20(26)11-9-19)24(30-17-29-23)36-12-13-37-25-27-14-21(35-2)15-28-25;1-32(16-18-6-4-3-5-7-18)38(33,34)31-23-22(19-8-10-20(26)11-9-19)24(30-17-29-23)35-12-13-36-25-27-14-21(37-2)15-28-25;1-32(15-17-5-3-2-4-6-17)37(33,34)31-22-21(18-7-9-19(25)10-8-18)23(30-16-29-22)35-11-12-36-24-27-13-20(26)14-28-24;1-3-4-9-27-34(29,30)28-19-18(15-5-7-16(22)8-6-15)20(26-14-25-19)32-10-11-33-21-23-12-17(31-2)13-24-21;1-3-4-9-27-34(29,30)28-19-18(15-5-7-16(22)8-6-15)20(26-14-25-19)31-10-11-32-21-23-12-17(33-2)13-24-21;1-2-3-8-27-33(29,30)28-18-17(14-4-6-15(21)7-5-14)19(26-13-25-18)31-9-10-32-20-23-11-16(22)12-24-20/h2*3-11,14-15,17H,12-13,16H2,1-2H3,(H,29,30,31);2-10,13-14,16H,11-12,15H2,1H3,(H,29,30,31);2*5-8,12-14,27H,3-4,9-11H2,1-2H3,(H,25,26,28);4-7,11-13,27H,2-3,8-10H2,1H3,(H,25,26,28).

What are the key properties of 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?

4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine has a molecular weight of 3594.64 g/mol, XLogP of 24.41, 73 rotatable bonds, 9 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine is sourced from PubChem (CID 161179085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).