2,4-dibromo-6-methylsulfonylpyrimidine

C5H4Br2N2O2S — CID 154156643

IUPAC2,4-dibromo-6-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1cc(Br)nc(Br)n1
InChIInChI=1S/C5H4Br2N2O2S/c1-12(10,11)4-2-3(6)8-5(7)9-4/h2H,1H3
InChIKeyHRGDYQPXHTVBSX-UHFFFAOYSA-N
MW315.97 g/mol
LogP1.41
Rot. Bonds1

About 2,4-dibromo-6-methylsulfonylpyrimidine

2,4-dibromo-6-methylsulfonylpyrimidine (PubChem CID 154156643) has the molecular formula C5H4Br2N2O2S and a molecular weight of 315.97 g/mol. Its IUPAC name is 2,4-dibromo-6-methylsulfonylpyrimidine.

Molecular Properties

Compound Name2,4-dibromo-6-methylsulfonylpyrimidine
PubChem CID154156643
Molecular FormulaC5H4Br2N2O2S
Molecular Weight315.97 g/mol
Exact Mass313.84
IUPAC Name2,4-dibromo-6-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1cc(Br)nc(Br)n1
InChIInChI=1S/C5H4Br2N2O2S/c1-12(10,11)4-2-3(6)8-5(7)9-4/h2H,1H3
InChIKeyHRGDYQPXHTVBSX-UHFFFAOYSA-N
XLogP1.41
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.97
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-methylsulfonylpyrimidine?
The IUPAC name of 2,4-dibromo-6-methylsulfonylpyrimidine (CID 154156643) is 2,4-dibromo-6-methylsulfonylpyrimidine.
What is the SMILES notation for 2,4-dibromo-6-methylsulfonylpyrimidine?
The canonical SMILES for 2,4-dibromo-6-methylsulfonylpyrimidine is CS(=O)(=O)c1cc(Br)nc(Br)n1.
What is the InChIKey of 2,4-dibromo-6-methylsulfonylpyrimidine?
The InChIKey is HRGDYQPXHTVBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2N2O2S/c1-12(10,11)4-2-3(6)8-5(7)9-4/h2H,1H3.
What are the key properties of 2,4-dibromo-6-methylsulfonylpyrimidine?
2,4-dibromo-6-methylsulfonylpyrimidine has a molecular weight of 315.97 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-methylsulfonylpyrimidine is sourced from PubChem (CID 154156643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).