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)-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;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine

C113H122Br5ClN30O22S7 — CID 159036228

About 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)-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;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine

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)-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;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine (PubChem CID 159036228) has the molecular formula C113H122Br5ClN30O22S7 and a molecular weight of 2911.85 g/mol. Its IUPAC name is 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)-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;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 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)-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;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine
• PubChem CID: 159036228
• Molecular Formula: C113H122Br5ClN30O22S7
• Molecular Weight: 2911.85 g/mol
• Exact Mass: 2904.30
• IUPAC Name: 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)-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;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine
• SMILES: CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(OC)cn2)c1-c1ccc(Br)cc1.CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)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.O=S(=O)(Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Cl)cc1)NC1CCCC1
• InChI: InChI=1S/C25H25BrN6O5S.C25H25BrN6O4S2.C21H22BrClN6O4S.C21H25BrN6O5S.C21H25BrN6O4S2/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;22-15-11-24-21(25-12-15)33-10-9-32-20-18(14-5-7-16(23)8-6-14)19(26-13-27-20)29-34(30,31)28-17-3-1-2-4-17;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/h2*3-11,14-15,17H,12-13,16H2,1-2H3,(H,29,30,31);5-8,11-13,17,28H,1-4,9-10H2,(H,26,27,29);2*5-8,12-14,27H,3-4,9-11H2,1-2H3,(H,25,26,28)
• InChIKey: JVMJTSXZIFDJMZ-UHFFFAOYSA-N
• XLogP: 19.74
• TPSA: 641.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 60
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2911.85
LogP ≤ 5	19.74
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

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

The IUPAC name of 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)-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;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine (CID 159036228) is 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)-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;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine.

What is the SMILES notation for 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)-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;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine?

The canonical SMILES for 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)-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;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine is CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(OC)cn2)c1-c1ccc(Br)cc1.CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)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.O=S(=O)(Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Cl)cc1)NC1CCCC1.

What is the InChIKey of 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)-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;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine?

The InChIKey is JVMJTSXZIFDJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN6O5S.C25H25BrN6O4S2.C21H22BrClN6O4S.C21H25BrN6O5S.C21H25BrN6O4S2/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;22-15-11-24-21(25-12-15)33-10-9-32-20-18(14-5-7-16(23)8-6-14)19(26-13-27-20)29-34(30,31)28-17-3-1-2-4-17;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/h2*3-11,14-15,17H,12-13,16H2,1-2H3,(H,29,30,31);5-8,11-13,17,28H,1-4,9-10H2,(H,26,27,29);2*5-8,12-14,27H,3-4,9-11H2,1-2H3,(H,25,26,28).

What are the key properties of 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)-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;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine?

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)-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;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine has a molecular weight of 2911.85 g/mol, XLogP of 19.74, 60 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 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)-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;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine is sourced from PubChem (CID 159036228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).