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

C19H20Br2N6O4S — CID 172715099

IUPAC5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-2-amine
SMILESCCCNS(=O)(=O)Nc1ncc(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)n1
InChIInChI=1S/C19H20Br2N6O4S/c1-2-7-25-32(28,29)27-18-22-12-16(13-3-5-14(20)6-4-13)17(26-18)30-8-9-31-19-23-10-15(21)11-24-19/h3-6,10-12,25H,2,7-9H2,1H3,(H,22,26,27)
InChIKeyFTHPKAMLUZWZMR-UHFFFAOYSA-N
MW588.28 g/mol
LogP3.57
Rot. Bonds11

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

5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-2-amine (PubChem CID 172715099) has the molecular formula C19H20Br2N6O4S and a molecular weight of 588.28 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-2-amine
PubChem CID172715099
Molecular FormulaC19H20Br2N6O4S
Molecular Weight588.28 g/mol
Exact Mass585.96
IUPAC Name5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-2-amine
SMILESCCCNS(=O)(=O)Nc1ncc(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)n1
InChIInChI=1S/C19H20Br2N6O4S/c1-2-7-25-32(28,29)27-18-22-12-16(13-3-5-14(20)6-4-13)17(26-18)30-8-9-31-19-23-10-15(21)11-24-19/h3-6,10-12,25H,2,7-9H2,1H3,(H,22,26,27)
InChIKeyFTHPKAMLUZWZMR-UHFFFAOYSA-N
XLogP3.57
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.28
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

Macitentan
CID 16004692
Aprocitentan
CID 25099191
4-tert-butyl-N-{6-[2-(5-bromopyrimidin-2-yloxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-yl}benzenesulfonamide
CID 9938571
3-[[5-(4-Bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]sulfamoylamino]propanoic acid
CID 11505449
5-(4-bromophenyl)-N-(2-methoxyethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
CID 11757759
Macitentan Impurity 27
CID 21041264
5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
CID 21041278
5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
CID 21041283
5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
CID 21041284
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 44342061
5-(4-bromophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
CID 58688005
N-Despropyl-N-ethyl Macitentan
CID 71462322

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-2-amine?
The IUPAC name of 5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-2-amine (CID 172715099) is 5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-2-amine is CCCNS(=O)(=O)Nc1ncc(-c2ccc(Br)cc2)c(OCCOc2ncc(Br)cn2)n1.
What is the InChIKey of 5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-2-amine?
The InChIKey is FTHPKAMLUZWZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N6O4S/c1-2-7-25-32(28,29)27-18-22-12-16(13-3-5-14(20)6-4-13)17(26-18)30-8-9-31-19-23-10-15(21)11-24-19/h3-6,10-12,25H,2,7-9H2,1H3,(H,22,26,27).
What are the key properties of 5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-2-amine?
5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-2-amine has a molecular weight of 588.28 g/mol, XLogP of 3.57, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-2-amine is sourced from PubChem (CID 172715099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).