5-(4-bromophenyl)-6-[1,1,2,2-tetradeuterio-2-(4,6-dideuterio-5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(1,1-dideuteriopropylsulfamoyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine

C80H92Br4N24O16S4 — CID 158352070

About 5-(4-bromophenyl)-6-[1,1,2,2-tetradeuterio-2-(4,6-dideuterio-5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(1,1-dideuteriopropylsulfamoyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine

5-(4-bromophenyl)-6-[1,1,2,2-tetradeuterio-2-(4,6-dideuterio-5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(1,1-dideuteriopropylsulfamoyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine (PubChem CID 158352070) has the molecular formula C80H92Br4N24O16S4 and a molecular weight of 2121.82 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6-[1,1,2,2-tetradeuterio-2-(4,6-dideuterio-5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(1,1-dideuteriopropylsulfamoyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-(4-bromophenyl)-6-[1,1,2,2-tetradeuterio-2-(4,6-dideuterio-5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(1,1-dideuteriopropylsulfamoyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine
• PubChem CID: 158352070
• Molecular Formula: C80H92Br4N24O16S4
• Molecular Weight: 2121.82 g/mol
• Exact Mass: 2116.45
• IUPAC Name: 5-(4-bromophenyl)-6-[1,1,2,2-tetradeuterio-2-(4,6-dideuterio-5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(1,1-dideuteriopropylsulfamoyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine
• SMILES: [2H]c1c([2H])c(-c2c(NS(=O)(=O)NC([2H])([2H])C([2H])([2H])C)ncnc2OCCOc2ncc(C)cn2)c([2H])c([2H])c1Br.[2H]c1c([2H])c(-c2c(NS(=O)(=O)NC([2H])([2H])CC)ncnc2OCCOc2ncc(C)cn2)c([2H])c([2H])c1Br.[2H]c1c([2H])c(-c2c(NS(=O)(=O)NCCC)ncnc2OCCOc2ncc(C)cn2)c([2H])c([2H])c1Br.[2H]c1nc(OC([2H])([2H])C([2H])([2H])Oc2ncnc(NS(=O)(=O)NC([2H])([2H])C([2H])([2H])C)c2-c2ccc(Br)cc2)nc([2H])c1C
• InChI: InChI=1S/4C20H23BrN6O4S/c4*1-3-8-26-32(28,29)27-18-17(15-4-6-16(21)7-5-15)19(25-13-24-18)30-9-10-31-20-22-11-14(2)12-23-20/h4*4-7,11-13,26H,3,8-10H2,1-2H3,(H,24,25,27)/i3D2,8D2,9D2,10D2,11D,12D;3D2,4D,5D,6D,7D,8D2;4D,5D,6D,7D,8D2;4D,5D,6D,7D
• InChIKey: GSLBNSWDNMOWKX-FXEKCPEZSA-N
• XLogP: 12.47
• TPSA: 512.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 44
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2121.82
LogP ≤ 5	12.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-6-[1,1,2,2-tetradeuterio-2-(4,6-dideuterio-5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(1,1-dideuteriopropylsulfamoyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine?

The IUPAC name of 5-(4-bromophenyl)-6-[1,1,2,2-tetradeuterio-2-(4,6-dideuterio-5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(1,1-dideuteriopropylsulfamoyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine (CID 158352070) is 5-(4-bromophenyl)-6-[1,1,2,2-tetradeuterio-2-(4,6-dideuterio-5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(1,1-dideuteriopropylsulfamoyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine.

What is the SMILES notation for 5-(4-bromophenyl)-6-[1,1,2,2-tetradeuterio-2-(4,6-dideuterio-5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(1,1-dideuteriopropylsulfamoyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine?

The canonical SMILES for 5-(4-bromophenyl)-6-[1,1,2,2-tetradeuterio-2-(4,6-dideuterio-5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(1,1-dideuteriopropylsulfamoyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine is [2H]c1c([2H])c(-c2c(NS(=O)(=O)NC([2H])([2H])C([2H])([2H])C)ncnc2OCCOc2ncc(C)cn2)c([2H])c([2H])c1Br.[2H]c1c([2H])c(-c2c(NS(=O)(=O)NC([2H])([2H])CC)ncnc2OCCOc2ncc(C)cn2)c([2H])c([2H])c1Br.[2H]c1c([2H])c(-c2c(NS(=O)(=O)NCCC)ncnc2OCCOc2ncc(C)cn2)c([2H])c([2H])c1Br.[2H]c1nc(OC([2H])([2H])C([2H])([2H])Oc2ncnc(NS(=O)(=O)NC([2H])([2H])C([2H])([2H])C)c2-c2ccc(Br)cc2)nc([2H])c1C.

What is the InChIKey of 5-(4-bromophenyl)-6-[1,1,2,2-tetradeuterio-2-(4,6-dideuterio-5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(1,1-dideuteriopropylsulfamoyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine?

The InChIKey is GSLBNSWDNMOWKX-FXEKCPEZSA-N. The full InChI is InChI=1S/4C20H23BrN6O4S/c4*1-3-8-26-32(28,29)27-18-17(15-4-6-16(21)7-5-15)19(25-13-24-18)30-9-10-31-20-22-11-14(2)12-23-20/h4*4-7,11-13,26H,3,8-10H2,1-2H3,(H,24,25,27)/i3D2,8D2,9D2,10D2,11D,12D;3D2,4D,5D,6D,7D,8D2;4D,5D,6D,7D,8D2;4D,5D,6D,7D.

What are the key properties of 5-(4-bromophenyl)-6-[1,1,2,2-tetradeuterio-2-(4,6-dideuterio-5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(1,1-dideuteriopropylsulfamoyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine?

5-(4-bromophenyl)-6-[1,1,2,2-tetradeuterio-2-(4,6-dideuterio-5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(1,1-dideuteriopropylsulfamoyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine has a molecular weight of 2121.82 g/mol, XLogP of 12.47, 44 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-bromophenyl)-6-[1,1,2,2-tetradeuterio-2-(4,6-dideuterio-5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-N-(1,1-dideuteriopropylsulfamoyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromo-2,3,5,6-tetradeuteriophenyl)-6-[2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine is sourced from PubChem (CID 158352070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).