5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methylsulfonylethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-propoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(propylsulfamoyl)pyrimidin-4-amine;N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide

C109H119Br5N30O31S6 — CID 159068025

About 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methylsulfonylethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-propoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(propylsulfamoyl)pyrimidin-4-amine;N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide

5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methylsulfonylethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-propoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(propylsulfamoyl)pyrimidin-4-amine;N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 159068025) has the molecular formula C109H119Br5N30O31S6 and a molecular weight of 2937.25 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methylsulfonylethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-propoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(propylsulfamoyl)pyrimidin-4-amine;N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

• Compound Name: 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methylsulfonylethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-propoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(propylsulfamoyl)pyrimidin-4-amine;N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide
• PubChem CID: 159068025
• Molecular Formula: C109H119Br5N30O31S6
• Molecular Weight: 2937.25 g/mol
• Exact Mass: 2930.29
• IUPAC Name: 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methylsulfonylethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-propoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(propylsulfamoyl)pyrimidin-4-amine;N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide
• SMILES: CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)CCO2.CCCOCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.COCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)CCO2.CS(=O)(=O)CCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.O=S(=O)(Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCC2)N1CCC2(CC1)CC2
• InChI: InChI=1S/C25H27BrN6O5S.C22H25BrN6O7S.C21H23BrN6O6S.C21H23BrN6O5S.C20H21BrN6O8S2/c26-19-14-27-24(28-15-19)37-12-11-36-23-21(18-2-1-17-3-10-35-20(17)13-18)22(29-16-30-23)31-38(33,34)32-8-6-25(4-5-25)7-9-32;1-2-6-32-7-5-28-37(30,31)29-20-19(15-3-4-17-18(10-15)36-14-35-17)21(27-13-26-20)33-8-9-34-22-24-11-16(23)12-25-22;1-31-7-5-27-35(29,30)28-19-18(15-2-3-17-14(10-15)4-6-32-17)20(26-13-25-19)33-8-9-34-21-23-11-16(22)12-24-21;1-2-6-27-34(29,30)28-19-18(15-3-4-17-14(10-15)5-7-31-17)20(26-13-25-19)32-8-9-33-21-23-11-16(22)12-24-21;1-36(28,29)7-4-26-37(30,31)27-18-17(13-2-3-15-16(8-13)35-12-34-15)19(25-11-24-18)32-5-6-33-20-22-9-14(21)10-23-20/h1-2,13-16H,3-12H2,(H,29,30,31);3-4,10-13,28H,2,5-9,14H2,1H3,(H,26,27,29);2-3,10-13,27H,4-9H2,1H3,(H,25,26,28);3-4,10-13,27H,2,5-9H2,1H3,(H,25,26,28);2-3,8-11,26H,4-7,12H2,1H3,(H,24,25,27)
• InChIKey: JZHLORYAXCGZLI-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 749.52 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 51
• Rotatable Bonds: 58
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2937.25
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methylsulfonylethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-propoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(propylsulfamoyl)pyrimidin-4-amine;N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide?

The IUPAC name of 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methylsulfonylethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-propoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(propylsulfamoyl)pyrimidin-4-amine;N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide (CID 159068025) is 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methylsulfonylethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-propoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(propylsulfamoyl)pyrimidin-4-amine;N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide.

What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methylsulfonylethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-propoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(propylsulfamoyl)pyrimidin-4-amine;N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide?

The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methylsulfonylethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-propoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(propylsulfamoyl)pyrimidin-4-amine;N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide is CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)CCO2.CCCOCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.COCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)CCO2.CS(=O)(=O)CCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.O=S(=O)(Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCC2)N1CCC2(CC1)CC2.

What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methylsulfonylethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-propoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(propylsulfamoyl)pyrimidin-4-amine;N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide?

The InChIKey is JZHLORYAXCGZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN6O5S.C22H25BrN6O7S.C21H23BrN6O6S.C21H23BrN6O5S.C20H21BrN6O8S2/c26-19-14-27-24(28-15-19)37-12-11-36-23-21(18-2-1-17-3-10-35-20(17)13-18)22(29-16-30-23)31-38(33,34)32-8-6-25(4-5-25)7-9-32;1-2-6-32-7-5-28-37(30,31)29-20-19(15-3-4-17-18(10-15)36-14-35-17)21(27-13-26-20)33-8-9-34-22-24-11-16(23)12-25-22;1-31-7-5-27-35(29,30)28-19-18(15-2-3-17-14(10-15)4-6-32-17)20(26-13-25-19)33-8-9-34-21-23-11-16(22)12-24-21;1-2-6-27-34(29,30)28-19-18(15-3-4-17-14(10-15)5-7-31-17)20(26-13-25-19)32-8-9-33-21-23-11-16(22)12-24-21;1-36(28,29)7-4-26-37(30,31)27-18-17(13-2-3-15-16(8-13)35-12-34-15)19(25-11-24-18)32-5-6-33-20-22-9-14(21)10-23-20/h1-2,13-16H,3-12H2,(H,29,30,31);3-4,10-13,28H,2,5-9,14H2,1H3,(H,26,27,29);2-3,10-13,27H,4-9H2,1H3,(H,25,26,28);3-4,10-13,27H,2,5-9H2,1H3,(H,25,26,28);2-3,8-11,26H,4-7,12H2,1H3,(H,24,25,27).

What are the key properties of 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methylsulfonylethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-propoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(propylsulfamoyl)pyrimidin-4-amine;N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide?

5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methylsulfonylethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-propoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(propylsulfamoyl)pyrimidin-4-amine;N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 2937.25 g/mol, XLogP of 12.08, 58 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methylsulfonylethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-propoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-5-yl)-N-(propylsulfamoyl)pyrimidin-4-amine;N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 159068025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).