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

C13H12BrClN4O2S — CID 21041279

IUPAC5-(4-bromophenyl)-6-chloro-N-(cyclopropylsulfamoyl)pyrimidin-4-amine
SMILESO=S(=O)(Nc1ncnc(Cl)c1-c1ccc(Br)cc1)NC1CC1
InChIInChI=1S/C13H12BrClN4O2S/c14-9-3-1-8(2-4-9)11-12(15)16-7-17-13(11)19-22(20,21)18-10-5-6-10/h1-4,7,10,18H,5-6H2,(H,16,17,19)
InChIKeyHEBXRLYKGPMDFY-UHFFFAOYSA-N
MW403.69 g/mol
LogP2.97
Rot. Bonds5

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

5-(4-bromophenyl)-6-chloro-N-(cyclopropylsulfamoyl)pyrimidin-4-amine (PubChem CID 21041279) has the molecular formula C13H12BrClN4O2S and a molecular weight of 403.69 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6-chloro-N-(cyclopropylsulfamoyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-6-chloro-N-(cyclopropylsulfamoyl)pyrimidin-4-amine
PubChem CID21041279
Molecular FormulaC13H12BrClN4O2S
Molecular Weight403.69 g/mol
Exact Mass401.96
IUPAC Name5-(4-bromophenyl)-6-chloro-N-(cyclopropylsulfamoyl)pyrimidin-4-amine
SMILESO=S(=O)(Nc1ncnc(Cl)c1-c1ccc(Br)cc1)NC1CC1
InChIInChI=1S/C13H12BrClN4O2S/c14-9-3-1-8(2-4-9)11-12(15)16-7-17-13(11)19-22(20,21)18-10-5-6-10/h1-4,7,10,18H,5-6H2,(H,16,17,19)
InChIKeyHEBXRLYKGPMDFY-UHFFFAOYSA-N
XLogP2.97
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.69
LogP ≤ 52.97
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-(cyclopropylsulfamoyl)pyrimidin-4-amine?
The IUPAC name of 5-(4-bromophenyl)-6-chloro-N-(cyclopropylsulfamoyl)pyrimidin-4-amine (CID 21041279) is 5-(4-bromophenyl)-6-chloro-N-(cyclopropylsulfamoyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-6-chloro-N-(cyclopropylsulfamoyl)pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-6-chloro-N-(cyclopropylsulfamoyl)pyrimidin-4-amine is O=S(=O)(Nc1ncnc(Cl)c1-c1ccc(Br)cc1)NC1CC1.
What is the InChIKey of 5-(4-bromophenyl)-6-chloro-N-(cyclopropylsulfamoyl)pyrimidin-4-amine?
The InChIKey is HEBXRLYKGPMDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN4O2S/c14-9-3-1-8(2-4-9)11-12(15)16-7-17-13(11)19-22(20,21)18-10-5-6-10/h1-4,7,10,18H,5-6H2,(H,16,17,19).
What are the key properties of 5-(4-bromophenyl)-6-chloro-N-(cyclopropylsulfamoyl)pyrimidin-4-amine?
5-(4-bromophenyl)-6-chloro-N-(cyclopropylsulfamoyl)pyrimidin-4-amine has a molecular weight of 403.69 g/mol, XLogP of 2.97, 5 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-(cyclopropylsulfamoyl)pyrimidin-4-amine is sourced from PubChem (CID 21041279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).