5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)-5-pyrazolo[1,5-a]pyridin-6-ylpyrimidin-4-amine

C120H122Br6N38O34S6 — CID 163505445

About 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)-5-pyrazolo[1,5-a]pyridin-6-ylpyrimidin-4-amine

5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)-5-pyrazolo[1,5-a]pyridin-6-ylpyrimidin-4-amine (PubChem CID 163505445) has the molecular formula C120H122Br6N38O34S6 and a molecular weight of 3312.35 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)-5-pyrazolo[1,5-a]pyridin-6-ylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)-5-pyrazolo[1,5-a]pyridin-6-ylpyrimidin-4-amine
• PubChem CID: 163505445
• Molecular Formula: C120H122Br6N38O34S6
• Molecular Weight: 3312.35 g/mol
• Exact Mass: 3304.24
• IUPAC Name: 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)-5-pyrazolo[1,5-a]pyridin-6-ylpyrimidin-4-amine
• SMILES: CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2ccnn2c1.NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.O=S(=O)(NCC1CC1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.O=S(=O)(Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2)NC1CCC1
• InChI: InChI=1S/2C21H21BrN6O6S.C21H23BrN6O6S.C20H21BrN8O4S.C20H21BrN6O6S.C17H15BrN6O6S/c22-15-9-23-21(24-10-15)32-6-5-31-20-18(14-3-4-16-17(7-14)34-12-33-16)19(25-11-26-20)28-35(29,30)27-8-13-1-2-13;22-14-9-23-21(24-10-14)32-7-6-31-20-18(13-4-5-16-17(8-13)34-12-33-16)19(25-11-26-20)28-35(29,30)27-15-2-1-3-15;1-2-3-6-27-35(29,30)28-19-18(14-4-5-16-17(9-14)34-13-33-16)20(26-12-25-19)31-7-8-32-21-23-10-15(22)11-24-21;1-2-6-27-34(30,31)28-18-17(14-3-4-16-5-7-26-29(16)12-14)19(25-13-24-18)32-8-9-33-20-22-10-15(21)11-23-20;1-2-5-26-34(28,29)27-18-17(13-3-4-15-16(8-13)33-12-32-15)19(25-11-24-18)30-6-7-31-20-22-9-14(21)10-23-20;18-11-6-20-17(21-7-11)28-4-3-27-16-14(15(22-8-23-16)24-31(19,25)26)10-1-2-12-13(5-10)30-9-29-12/h3-4,7,9-11,13,27H,1-2,5-6,8,12H2,(H,25,26,28);4-5,8-11,15,27H,1-3,6-7,12H2,(H,25,26,28);4-5,9-12,27H,2-3,6-8,13H2,1H3,(H,25,26,28);3-5,7,10-13,27H,2,6,8-9H2,1H3,(H,24,25,28);3-4,8-11,26H,2,5-7,12H2,1H3,(H,24,25,27);1-2,5-8H,3-4,9H2,(H2,19,25,26)(H,22,23,24)
• InChIKey: CYEUDTVCJULISO-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 892.91 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 60
• Rotatable Bonds: 63
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3312.35
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	60

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-(butylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)-5-pyrazolo[1,5-a]pyridin-6-ylpyrimidin-4-amine?

The IUPAC name of 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)-5-pyrazolo[1,5-a]pyridin-6-ylpyrimidin-4-amine (CID 163505445) is 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)-5-pyrazolo[1,5-a]pyridin-6-ylpyrimidin-4-amine.

What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)-5-pyrazolo[1,5-a]pyridin-6-ylpyrimidin-4-amine?

The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)-5-pyrazolo[1,5-a]pyridin-6-ylpyrimidin-4-amine is CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2ccnn2c1.NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.O=S(=O)(NCC1CC1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.O=S(=O)(Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2)NC1CCC1.

What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)-5-pyrazolo[1,5-a]pyridin-6-ylpyrimidin-4-amine?

The InChIKey is CYEUDTVCJULISO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21BrN6O6S.C21H23BrN6O6S.C20H21BrN8O4S.C20H21BrN6O6S.C17H15BrN6O6S/c22-15-9-23-21(24-10-15)32-6-5-31-20-18(14-3-4-16-17(7-14)34-12-33-16)19(25-11-26-20)28-35(29,30)27-8-13-1-2-13;22-14-9-23-21(24-10-14)32-7-6-31-20-18(13-4-5-16-17(8-13)34-12-33-16)19(25-11-26-20)28-35(29,30)27-15-2-1-3-15;1-2-3-6-27-35(29,30)28-19-18(14-4-5-16-17(9-14)34-13-33-16)20(26-12-25-19)31-7-8-32-21-23-10-15(22)11-24-21;1-2-6-27-34(30,31)28-18-17(14-3-4-16-5-7-26-29(16)12-14)19(25-13-24-18)32-8-9-33-20-22-10-15(21)11-23-20;1-2-5-26-34(28,29)27-18-17(13-3-4-15-16(8-13)33-12-32-15)19(25-11-24-18)30-6-7-31-20-22-9-14(21)10-23-20;18-11-6-20-17(21-7-11)28-4-3-27-16-14(15(22-8-23-16)24-31(19,25)26)10-1-2-12-13(5-10)30-9-29-12/h3-4,7,9-11,13,27H,1-2,5-6,8,12H2,(H,25,26,28);4-5,8-11,15,27H,1-3,6-7,12H2,(H,25,26,28);4-5,9-12,27H,2-3,6-8,13H2,1H3,(H,25,26,28);3-5,7,10-13,27H,2,6,8-9H2,1H3,(H,24,25,28);3-4,8-11,26H,2,5-7,12H2,1H3,(H,24,25,27);1-2,5-8H,3-4,9H2,(H2,19,25,26)(H,22,23,24).

What are the key properties of 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)-5-pyrazolo[1,5-a]pyridin-6-ylpyrimidin-4-amine?

5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)-5-pyrazolo[1,5-a]pyridin-6-ylpyrimidin-4-amine has a molecular weight of 3312.35 g/mol, XLogP of 14.64, 63 rotatable bonds, 12 hydrogen bond donors, and 60 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-(butylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)-5-pyrazolo[1,5-a]pyridin-6-ylpyrimidin-4-amine is sourced from PubChem (CID 163505445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).