2-(fluoromethylsulfanyl)pyrimidine

C5H5FN2S — CID 10678370

IUPAC2-(fluoromethylsulfanyl)pyrimidine
SMILESFCSc1ncccn1
InChIInChI=1S/C5H5FN2S/c6-4-9-5-7-2-1-3-8-5/h1-3H,4H2
InChIKeyPXPWKKOXLLFIBG-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.50
Rot. Bonds2

About 2-(fluoromethylsulfanyl)pyrimidine

2-(fluoromethylsulfanyl)pyrimidine (PubChem CID 10678370) has the molecular formula C5H5FN2S and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(fluoromethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-(fluoromethylsulfanyl)pyrimidine
PubChem CID10678370
Molecular FormulaC5H5FN2S
Molecular Weight144.17 g/mol
Exact Mass144.02
IUPAC Name2-(fluoromethylsulfanyl)pyrimidine
SMILESFCSc1ncccn1
InChIInChI=1S/C5H5FN2S/c6-4-9-5-7-2-1-3-8-5/h1-3H,4H2
InChIKeyPXPWKKOXLLFIBG-UHFFFAOYSA-N
XLogP1.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminopyrimidine
CID 7978
Pyrimidine
CID 9260
2-Bromopyrimidine
CID 78345
N-methylpyrimidin-2-amine
CID 265776
2-Fluoropyrimidine
CID 141643
2-Chloropyrimidine
CID 74404
2-Methoxypyrimidine
CID 136730
2,4-Difluoropyrimidine
CID 137716
4-(Methylsulfanyl)pyrimidin-2-amine
CID 238736
4-Chloro-2-methylthiopyrimidine
CID 97113
2-Fluoropyrimidin-4-amine
CID 339392
2-Iodopyrimidine
CID 11356200

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylsulfanyl)pyrimidine?
The IUPAC name of 2-(fluoromethylsulfanyl)pyrimidine (CID 10678370) is 2-(fluoromethylsulfanyl)pyrimidine.
What is the SMILES notation for 2-(fluoromethylsulfanyl)pyrimidine?
The canonical SMILES for 2-(fluoromethylsulfanyl)pyrimidine is FCSc1ncccn1.
What is the InChIKey of 2-(fluoromethylsulfanyl)pyrimidine?
The InChIKey is PXPWKKOXLLFIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2S/c6-4-9-5-7-2-1-3-8-5/h1-3H,4H2.
What are the key properties of 2-(fluoromethylsulfanyl)pyrimidine?
2-(fluoromethylsulfanyl)pyrimidine has a molecular weight of 144.17 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylsulfanyl)pyrimidine is sourced from PubChem (CID 10678370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).