5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine

C13H14BrClN4O2S — CID 71500858

IUPAC5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine
SMILESCCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C13H14BrClN4O2S/c1-2-7-18-22(20,21)19-13-11(12(15)16-8-17-13)9-3-5-10(14)6-4-9/h3-6,8,18H,2,7H2,1H3,(H,16,17,19)
InChIKeyMUPKRWAGQKVNPA-UHFFFAOYSA-N
MW405.71 g/mol
LogP3.22
Rot. Bonds6

About 5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine

5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine (PubChem CID 71500858) has the molecular formula C13H14BrClN4O2S and a molecular weight of 405.71 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine
PubChem CID71500858
Molecular FormulaC13H14BrClN4O2S
Molecular Weight405.71 g/mol
Exact Mass403.97
IUPAC Name5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine
SMILESCCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C13H14BrClN4O2S/c1-2-7-18-22(20,21)19-13-11(12(15)16-8-17-13)9-3-5-10(14)6-4-9/h3-6,8,18H,2,7H2,1H3,(H,16,17,19)
InChIKeyMUPKRWAGQKVNPA-UHFFFAOYSA-N
XLogP3.22
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.71
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine?
The IUPAC name of 5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine (CID 71500858) is 5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine is CCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine?
The InChIKey is MUPKRWAGQKVNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4O2S/c1-2-7-18-22(20,21)19-13-11(12(15)16-8-17-13)9-3-5-10(14)6-4-9/h3-6,8,18H,2,7H2,1H3,(H,16,17,19).
What are the key properties of 5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine?
5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine has a molecular weight of 405.71 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine is sourced from PubChem (CID 71500858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).