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

C60H69Br3N18O12S3 — CID 160879403

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

5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1-dideuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[1,1-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine (PubChem CID 160879403) has the molecular formula C60H69Br3N18O12S3 and a molecular weight of 1585.33 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1-dideuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[1,1-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1-dideuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[1,1-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine
• PubChem CID: 160879403
• Molecular Formula: C60H69Br3N18O12S3
• Molecular Weight: 1585.33 g/mol
• Exact Mass: 1581.30
• IUPAC Name: 5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1-dideuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[1,1-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine
• SMILES: [2H]c1nc(NS(=O)(=O)NC([2H])([2H])C([2H])([2H])C)c(-c2ccc(Br)cc2)c(OC([2H])([2H])COc2ncc(C)cn2)n1.[2H]c1nc(NS(=O)(=O)NC([2H])([2H])CC)c(-c2ccc(Br)cc2)c(OCC([2H])([2H])Oc2ncc(C)cn2)n1.[2H]c1nc(NS(=O)(=O)NCCC)c(-c2ccc(Br)cc2)c(OCC([2H])([2H])Oc2ncc(C)cn2)n1
• InChI: InChI=1S/3C20H23BrN6O4S/c3*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/h3*4-7,11-13,26H,3,8-10H2,1-2H3,(H,24,25,27)/i3D2,8D2,9D2,13D;8D2,10D2,13D;10D2,13D
• InChIKey: SMVJSQMXVRJWAE-NCBHDYRMSA-N
• XLogP: 9.36
• TPSA: 384.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 33
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1585.33
LogP ≤ 5	9.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1-dideuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[1,1-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine (CID 160879403) is 5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1-dideuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[1,1-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine.

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

The canonical SMILES for 5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1-dideuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[1,1-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine is [2H]c1nc(NS(=O)(=O)NC([2H])([2H])C([2H])([2H])C)c(-c2ccc(Br)cc2)c(OC([2H])([2H])COc2ncc(C)cn2)n1.[2H]c1nc(NS(=O)(=O)NC([2H])([2H])CC)c(-c2ccc(Br)cc2)c(OCC([2H])([2H])Oc2ncc(C)cn2)n1.[2H]c1nc(NS(=O)(=O)NCCC)c(-c2ccc(Br)cc2)c(OCC([2H])([2H])Oc2ncc(C)cn2)n1.

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

The InChIKey is SMVJSQMXVRJWAE-NCBHDYRMSA-N. The full InChI is InChI=1S/3C20H23BrN6O4S/c3*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/h3*4-7,11-13,26H,3,8-10H2,1-2H3,(H,24,25,27)/i3D2,8D2,9D2,13D;8D2,10D2,13D;10D2,13D.

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

5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1-dideuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[1,1-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine has a molecular weight of 1585.33 g/mol, XLogP of 9.36, 33 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1-dideuteriopropylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[2,2-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-2-deuterio-6-[1,1-dideuterio-2-(5-methylpyrimidin-2-yl)oxyethoxy]-N-(1,1,2,2-tetradeuteriopropylsulfamoyl)pyrimidin-4-amine is sourced from PubChem (CID 160879403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).