5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine

C5H3BrCl2N2OS — CID 133080951

IUPAC5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine
SMILESCS(=O)c1nc(Cl)c(Br)c(Cl)n1
InChIInChI=1S/C5H3BrCl2N2OS/c1-12(11)5-9-3(7)2(6)4(8)10-5/h1H3
InChIKeyFXQCKGOUSHYVBF-UHFFFAOYSA-N
MW289.97 g/mol
LogP2.28
Rot. Bonds1

About 5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine

5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine (PubChem CID 133080951) has the molecular formula C5H3BrCl2N2OS and a molecular weight of 289.97 g/mol. Its IUPAC name is 5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine.

Molecular Properties

Compound Name5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine
PubChem CID133080951
Molecular FormulaC5H3BrCl2N2OS
Molecular Weight289.97 g/mol
Exact Mass287.85
IUPAC Name5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine
SMILESCS(=O)c1nc(Cl)c(Br)c(Cl)n1
InChIInChI=1S/C5H3BrCl2N2OS/c1-12(11)5-9-3(7)2(6)4(8)10-5/h1H3
InChIKeyFXQCKGOUSHYVBF-UHFFFAOYSA-N
XLogP2.28
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.97
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine?
The IUPAC name of 5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine (CID 133080951) is 5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine.
What is the SMILES notation for 5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine?
The canonical SMILES for 5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine is CS(=O)c1nc(Cl)c(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine?
The InChIKey is FXQCKGOUSHYVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrCl2N2OS/c1-12(11)5-9-3(7)2(6)4(8)10-5/h1H3.
What are the key properties of 5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine?
5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine has a molecular weight of 289.97 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine is sourced from PubChem (CID 133080951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).