5-fluoro-2-iodo-4-methylsulfanylpyrimidine

C5H4FIN2S — CID 89000624

IUPAC5-fluoro-2-iodo-4-methylsulfanylpyrimidine
SMILESCSc1nc(I)ncc1F
InChIInChI=1S/C5H4FIN2S/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3
InChIKeyHBAMTMASMRAHGT-UHFFFAOYSA-N
MW270.07 g/mol
LogP1.94
Rot. Bonds1

About 5-fluoro-2-iodo-4-methylsulfanylpyrimidine

5-fluoro-2-iodo-4-methylsulfanylpyrimidine (PubChem CID 89000624) has the molecular formula C5H4FIN2S and a molecular weight of 270.07 g/mol. Its IUPAC name is 5-fluoro-2-iodo-4-methylsulfanylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-iodo-4-methylsulfanylpyrimidine
PubChem CID89000624
Molecular FormulaC5H4FIN2S
Molecular Weight270.07 g/mol
Exact Mass269.91
IUPAC Name5-fluoro-2-iodo-4-methylsulfanylpyrimidine
SMILESCSc1nc(I)ncc1F
InChIInChI=1S/C5H4FIN2S/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3
InChIKeyHBAMTMASMRAHGT-UHFFFAOYSA-N
XLogP1.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-iodo-4-methylsulfanylpyrimidine?
The IUPAC name of 5-fluoro-2-iodo-4-methylsulfanylpyrimidine (CID 89000624) is 5-fluoro-2-iodo-4-methylsulfanylpyrimidine.
What is the SMILES notation for 5-fluoro-2-iodo-4-methylsulfanylpyrimidine?
The canonical SMILES for 5-fluoro-2-iodo-4-methylsulfanylpyrimidine is CSc1nc(I)ncc1F.
What is the InChIKey of 5-fluoro-2-iodo-4-methylsulfanylpyrimidine?
The InChIKey is HBAMTMASMRAHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FIN2S/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3.
What are the key properties of 5-fluoro-2-iodo-4-methylsulfanylpyrimidine?
5-fluoro-2-iodo-4-methylsulfanylpyrimidine has a molecular weight of 270.07 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-iodo-4-methylsulfanylpyrimidine is sourced from PubChem (CID 89000624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).