5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine

C28H32Br2N8O6S2 — CID 142312698

IUPAC5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
SMILESCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncnc(NS(=O)(=O)NCCC)c2-c2ccc(Br)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C28H32Br2N8O6S2/c1-3-13-35-45(39,40)37-25-23(19-5-9-21(29)10-6-19)27(33-17-31-25)43-15-16-44-28-24(20-7-11-22(30)12-8-20)26(32-18-34-28)38-46(41,42)36-14-4-2/h5-12,17-18,35-36H,3-4,13-16H2,1-2H3,(H,31,33,37)(H,32,34,38)
InChIKeyAHHRKAUBXBVVDS-UHFFFAOYSA-N
MW800.56 g/mol
LogP4.90
Rot. Bonds17

About 5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine

5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine (PubChem CID 142312698) has the molecular formula C28H32Br2N8O6S2 and a molecular weight of 800.56 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
PubChem CID142312698
Molecular FormulaC28H32Br2N8O6S2
Molecular Weight800.56 g/mol
Exact Mass798.03
IUPAC Name5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
SMILESCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncnc(NS(=O)(=O)NCCC)c2-c2ccc(Br)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C28H32Br2N8O6S2/c1-3-13-35-45(39,40)37-25-23(19-5-9-21(29)10-6-19)27(33-17-31-25)43-15-16-44-28-24(20-7-11-22(30)12-8-20)26(32-18-34-28)38-46(41,42)36-14-4-2/h5-12,17-18,35-36H,3-4,13-16H2,1-2H3,(H,31,33,37)(H,32,34,38)
InChIKeyAHHRKAUBXBVVDS-UHFFFAOYSA-N
XLogP4.90
TPSA186.42 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500800.56
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine?
The IUPAC name of 5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine (CID 142312698) is 5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine is CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncnc(NS(=O)(=O)NCCC)c2-c2ccc(Br)cc2)c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine?
The InChIKey is AHHRKAUBXBVVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Br2N8O6S2/c1-3-13-35-45(39,40)37-25-23(19-5-9-21(29)10-6-19)27(33-17-31-25)43-15-16-44-28-24(20-7-11-22(30)12-8-20)26(32-18-34-28)38-46(41,42)36-14-4-2/h5-12,17-18,35-36H,3-4,13-16H2,1-2H3,(H,31,33,37)(H,32,34,38).
What are the key properties of 5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine?
5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine has a molecular weight of 800.56 g/mol, XLogP of 4.90, 17 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine is sourced from PubChem (CID 142312698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).