2-bromo-5-methylsulfonylpyrimidine

C5H5BrN2O2S — CID 59406204

IUPAC2-bromo-5-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1cnc(Br)nc1
InChIInChI=1S/C5H5BrN2O2S/c1-11(9,10)4-2-7-5(6)8-3-4/h2-3H,1H3
InChIKeyPNICAZWPZNGMSX-UHFFFAOYSA-N
MW237.08 g/mol
LogP0.64
Rot. Bonds1

About 2-bromo-5-methylsulfonylpyrimidine

2-bromo-5-methylsulfonylpyrimidine (PubChem CID 59406204) has the molecular formula C5H5BrN2O2S and a molecular weight of 237.08 g/mol. Its IUPAC name is 2-bromo-5-methylsulfonylpyrimidine.

Molecular Properties

Compound Name2-bromo-5-methylsulfonylpyrimidine
PubChem CID59406204
Molecular FormulaC5H5BrN2O2S
Molecular Weight237.08 g/mol
Exact Mass235.93
IUPAC Name2-bromo-5-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1cnc(Br)nc1
InChIInChI=1S/C5H5BrN2O2S/c1-11(9,10)4-2-7-5(6)8-3-4/h2-3H,1H3
InChIKeyPNICAZWPZNGMSX-UHFFFAOYSA-N
XLogP0.64
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylsulfonylpyrimidine?
The IUPAC name of 2-bromo-5-methylsulfonylpyrimidine (CID 59406204) is 2-bromo-5-methylsulfonylpyrimidine.
What is the SMILES notation for 2-bromo-5-methylsulfonylpyrimidine?
The canonical SMILES for 2-bromo-5-methylsulfonylpyrimidine is CS(=O)(=O)c1cnc(Br)nc1.
What is the InChIKey of 2-bromo-5-methylsulfonylpyrimidine?
The InChIKey is PNICAZWPZNGMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2S/c1-11(9,10)4-2-7-5(6)8-3-4/h2-3H,1H3.
What are the key properties of 2-bromo-5-methylsulfonylpyrimidine?
2-bromo-5-methylsulfonylpyrimidine has a molecular weight of 237.08 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylsulfonylpyrimidine is sourced from PubChem (CID 59406204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).