5-bromo-4-fluoro-2-methylsulfanylpyrimidine

C5H4BrFN2S — CID 167727810

IUPAC5-bromo-4-fluoro-2-methylsulfanylpyrimidine
SMILESCSc1ncc(Br)c(F)n1
InChIInChI=1S/C5H4BrFN2S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3
InChIKeyPONHVIRLRMHAQP-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.10
Rot. Bonds1

About 5-bromo-4-fluoro-2-methylsulfanylpyrimidine

5-bromo-4-fluoro-2-methylsulfanylpyrimidine (PubChem CID 167727810) has the molecular formula C5H4BrFN2S and a molecular weight of 223.07 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-methylsulfanylpyrimidine
PubChem CID167727810
Molecular FormulaC5H4BrFN2S
Molecular Weight223.07 g/mol
Exact Mass221.93
IUPAC Name5-bromo-4-fluoro-2-methylsulfanylpyrimidine
SMILESCSc1ncc(Br)c(F)n1
InChIInChI=1S/C5H4BrFN2S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3
InChIKeyPONHVIRLRMHAQP-UHFFFAOYSA-N
XLogP2.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-methylsulfanylpyrimidine?
The IUPAC name of 5-bromo-4-fluoro-2-methylsulfanylpyrimidine (CID 167727810) is 5-bromo-4-fluoro-2-methylsulfanylpyrimidine.
What is the SMILES notation for 5-bromo-4-fluoro-2-methylsulfanylpyrimidine?
The canonical SMILES for 5-bromo-4-fluoro-2-methylsulfanylpyrimidine is CSc1ncc(Br)c(F)n1.
What is the InChIKey of 5-bromo-4-fluoro-2-methylsulfanylpyrimidine?
The InChIKey is PONHVIRLRMHAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrFN2S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3.
What are the key properties of 5-bromo-4-fluoro-2-methylsulfanylpyrimidine?
5-bromo-4-fluoro-2-methylsulfanylpyrimidine has a molecular weight of 223.07 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-methylsulfanylpyrimidine is sourced from PubChem (CID 167727810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).