2-bromo-4-methylsulfanylpyrimidine

C5H5BrN2S — CID 24939040

IUPAC2-bromo-4-methylsulfanylpyrimidine
SMILESCSc1ccnc(Br)n1
InChIInChI=1S/C5H5BrN2S/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKeyXIFHZUYHBRNWRF-UHFFFAOYSA-N
MW205.08 g/mol
LogP1.96
Rot. Bonds1

About 2-bromo-4-methylsulfanylpyrimidine

2-bromo-4-methylsulfanylpyrimidine (PubChem CID 24939040) has the molecular formula C5H5BrN2S and a molecular weight of 205.08 g/mol. Its IUPAC name is 2-bromo-4-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2-bromo-4-methylsulfanylpyrimidine
PubChem CID24939040
Molecular FormulaC5H5BrN2S
Molecular Weight205.08 g/mol
Exact Mass203.94
IUPAC Name2-bromo-4-methylsulfanylpyrimidine
SMILESCSc1ccnc(Br)n1
InChIInChI=1S/C5H5BrN2S/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKeyXIFHZUYHBRNWRF-UHFFFAOYSA-N
XLogP1.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methylsulfanylpyrimidine?
The IUPAC name of 2-bromo-4-methylsulfanylpyrimidine (CID 24939040) is 2-bromo-4-methylsulfanylpyrimidine.
What is the SMILES notation for 2-bromo-4-methylsulfanylpyrimidine?
The canonical SMILES for 2-bromo-4-methylsulfanylpyrimidine is CSc1ccnc(Br)n1.
What is the InChIKey of 2-bromo-4-methylsulfanylpyrimidine?
The InChIKey is XIFHZUYHBRNWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2S/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3.
What are the key properties of 2-bromo-4-methylsulfanylpyrimidine?
2-bromo-4-methylsulfanylpyrimidine has a molecular weight of 205.08 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methylsulfanylpyrimidine is sourced from PubChem (CID 24939040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).