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

C110H107Br7N30O23S8 — CID 161428583

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

4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine (PubChem CID 161428583) has the molecular formula C110H107Br7N30O23S8 and a molecular weight of 3033.12 g/mol. Its IUPAC name is 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine
• PubChem CID: 161428583
• Molecular Formula: C110H107Br7N30O23S8
• Molecular Weight: 3033.12 g/mol
• Exact Mass: 3024.02
• IUPAC Name: 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine
• SMILES: CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1.CN(Cc1ccccc1)S(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1.COc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccco3)c2-c2ccc(Br)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccco3)c2-c2ccc(Br)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3cccs3)c2-c2ccc(Br)cc2)nc1
• InChI: InChI=1S/C24H22Br2N6O4S.C22H21BrN6O6S.C22H21BrN6O5S2.C22H21BrN6O4S3.C20H22Br2N6O4S/c1-32(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;1-32-18-11-24-22(25-12-18)35-10-9-34-21-19(15-4-6-16(23)7-5-15)20(26-14-27-21)29-36(30,31)28-13-17-3-2-8-33-17;1-35-18-12-24-22(25-13-18)34-10-9-33-21-19(15-4-6-16(23)7-5-15)20(26-14-27-21)29-36(30,31)28-11-17-3-2-8-32-17;1-34-18-11-24-22(25-12-18)33-9-8-32-21-19(15-4-6-16(23)7-5-15)20(26-14-27-21)29-36(30,31)28-13-17-3-2-10-35-17;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/h2-10,13-14,16H,11-12,15H2,1H3,(H,29,30,31);2-8,11-12,14,28H,9-10,13H2,1H3,(H,26,27,29);2-8,12-14,28H,9-11H2,1H3,(H,26,27,29);2-7,10-12,14,28H,8-9,13H2,1H3,(H,26,27,29);4-7,11-13,27H,2-3,8-10H2,1H3,(H,25,26,28)
• InChIKey: VXRXJBBLCSPWFW-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 667.82 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 46
• Rotatable Bonds: 59
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3033.12
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	46

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;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine?

The IUPAC name of 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine (CID 161428583) is 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)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;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine?

The canonical SMILES for 4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine is CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1.CN(Cc1ccccc1)S(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1.COc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccco3)c2-c2ccc(Br)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccco3)c2-c2ccc(Br)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3cccs3)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;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine?

The InChIKey is VXRXJBBLCSPWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Br2N6O4S.C22H21BrN6O6S.C22H21BrN6O5S2.C22H21BrN6O4S3.C20H22Br2N6O4S/c1-32(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;1-32-18-11-24-22(25-12-18)35-10-9-34-21-19(15-4-6-16(23)7-5-15)20(26-14-27-21)29-36(30,31)28-13-17-3-2-8-33-17;1-35-18-12-24-22(25-13-18)34-10-9-33-21-19(15-4-6-16(23)7-5-15)20(26-14-27-21)29-36(30,31)28-11-17-3-2-8-32-17;1-34-18-11-24-22(25-12-18)33-9-8-32-21-19(15-4-6-16(23)7-5-15)20(26-14-27-21)29-36(30,31)28-13-17-3-2-10-35-17;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/h2-10,13-14,16H,11-12,15H2,1H3,(H,29,30,31);2-8,11-12,14,28H,9-10,13H2,1H3,(H,26,27,29);2-8,12-14,28H,9-11H2,1H3,(H,26,27,29);2-7,10-12,14,28H,8-9,13H2,1H3,(H,26,27,29);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;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine?

4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine has a molecular weight of 3033.12 g/mol, XLogP of 20.17, 59 rotatable bonds, 9 hydrogen bond donors, and 46 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;5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(furan-2-ylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(thiophen-2-ylmethylsulfamoyl)pyrimidin-4-amine is sourced from PubChem (CID 161428583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).