About 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-ethoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(oxolan-2-ylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzothiazol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine
5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-ethoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(oxolan-2-ylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzothiazol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine (PubChem CID 163897332) has the molecular formula C127H132Br6F3N37O38S7
and a molecular weight of 3545.56 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-ethoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(oxolan-2-ylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzothiazol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine.
Frequently Asked Questions
What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-ethoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(oxolan-2-ylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzothiazol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-ethoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(oxolan-2-ylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzothiazol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine (CID 163897332) is 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-ethoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(oxolan-2-ylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzothiazol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-ethoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(oxolan-2-ylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzothiazol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-ethoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(oxolan-2-ylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzothiazol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine is CCOCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.COCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.COCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2scnc2c1.O=S(=O)(NCC(F)(F)F)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.O=S(=O)(NCC1CCC1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.O=S(=O)(NCC1CCCO1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-ethoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(oxolan-2-ylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzothiazol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine?
The InChIKey is QGURJZILYQBHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN6O7S.C22H25BrN6O7S.C22H23BrN6O6S.C21H22BrN7O5S2.C21H23BrN6O7S.C19H16BrF3N6O6S/c23-15-9-24-22(25-10-15)34-7-6-33-21-19(14-3-4-17-18(8-14)36-13-35-17)20(26-12-27-21)29-37(30,31)28-11-16-2-1-5-32-16;1-2-32-7-3-6-28-37(30,31)29-20-19(15-4-5-17-18(10-15)36-14-35-17)21(27-13-26-20)33-8-9-34-22-24-11-16(23)12-25-22;23-16-10-24-22(25-11-16)33-7-6-32-21-19(15-4-5-17-18(8-15)35-13-34-17)20(26-12-27-21)29-36(30,31)28-9-14-2-1-3-14;1-32-6-2-5-28-36(30,31)29-19-18(14-3-4-17-16(9-14)27-13-35-17)20(26-12-25-19)33-7-8-34-21-23-10-15(22)11-24-21;1-31-6-2-5-27-36(29,30)28-19-18(14-3-4-16-17(9-14)35-13-34-16)20(26-12-25-19)32-7-8-33-21-23-10-15(22)11-24-21;20-12-6-24-18(25-7-12)33-4-3-32-17-15(11-1-2-13-14(5-11)35-10-34-13)16(26-9-27-17)29-36(30,31)28-8-19(21,22)23/h3-4,8-10,12,16,28H,1-2,5-7,11,13H2,(H,26,27,29);4-5,10-13,28H,2-3,6-9,14H2,1H3,(H,26,27,29);4-5,8,10-12,14,28H,1-3,6-7,9,13H2,(H,26,27,29);3-4,9-13,28H,2,5-8H2,1H3,(H,25,26,29);3-4,9-12,27H,2,5-8,13H2,1H3,(H,25,26,28);1-2,5-7,9,28H,3-4,8,10H2,(H,26,27,29).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-ethoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(oxolan-2-ylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzothiazol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine?
5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclobutylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-ethoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(oxolan-2-ylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzothiazol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine has a molecular weight of 3545.56 g/mol, XLogP of 15.70, 72 rotatable bonds, 12 hydrogen bond donors, and 64 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-(cyclobutylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-ethoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(oxolan-2-ylmethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine;5-(1,3-benzothiazol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(3-methoxypropylsulfamoyl)pyrimidin-4-amine is sourced from PubChem (CID 163897332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).