4-fluoro-2-(fluoromethylsulfanyl)pyrimidine

C5H4F2N2S — CID 45090774

IUPAC4-fluoro-2-(fluoromethylsulfanyl)pyrimidine
SMILESFCSc1nccc(F)n1
InChIInChI=1S/C5H4F2N2S/c6-3-10-5-8-2-1-4(7)9-5/h1-2H,3H2
InChIKeyHFRZRAZNGJXANM-UHFFFAOYSA-N
MW162.16 g/mol
LogP1.63
Rot. Bonds2

About 4-fluoro-2-(fluoromethylsulfanyl)pyrimidine

4-fluoro-2-(fluoromethylsulfanyl)pyrimidine (PubChem CID 45090774) has the molecular formula C5H4F2N2S and a molecular weight of 162.16 g/mol. Its IUPAC name is 4-fluoro-2-(fluoromethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-2-(fluoromethylsulfanyl)pyrimidine
PubChem CID45090774
Molecular FormulaC5H4F2N2S
Molecular Weight162.16 g/mol
Exact Mass162.01
IUPAC Name4-fluoro-2-(fluoromethylsulfanyl)pyrimidine
SMILESFCSc1nccc(F)n1
InChIInChI=1S/C5H4F2N2S/c6-3-10-5-8-2-1-4(7)9-5/h1-2H,3H2
InChIKeyHFRZRAZNGJXANM-UHFFFAOYSA-N
XLogP1.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(fluoromethylsulfanyl)pyrimidine?
The IUPAC name of 4-fluoro-2-(fluoromethylsulfanyl)pyrimidine (CID 45090774) is 4-fluoro-2-(fluoromethylsulfanyl)pyrimidine.
What is the SMILES notation for 4-fluoro-2-(fluoromethylsulfanyl)pyrimidine?
The canonical SMILES for 4-fluoro-2-(fluoromethylsulfanyl)pyrimidine is FCSc1nccc(F)n1.
What is the InChIKey of 4-fluoro-2-(fluoromethylsulfanyl)pyrimidine?
The InChIKey is HFRZRAZNGJXANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2S/c6-3-10-5-8-2-1-4(7)9-5/h1-2H,3H2.
What are the key properties of 4-fluoro-2-(fluoromethylsulfanyl)pyrimidine?
4-fluoro-2-(fluoromethylsulfanyl)pyrimidine has a molecular weight of 162.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(fluoromethylsulfanyl)pyrimidine is sourced from PubChem (CID 45090774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).