4,6-difluoro-2-methylsulfanylpyrimidine

C5H4F2N2S — CID 14461144

IUPAC4,6-difluoro-2-methylsulfanylpyrimidine
SMILESCSc1nc(F)cc(F)n1
InChIInChI=1S/C5H4F2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
InChIKeyDKOCBKCIRMJSSA-UHFFFAOYSA-N
MW162.16 g/mol
LogP1.48
Rot. Bonds1

About 4,6-difluoro-2-methylsulfanylpyrimidine

4,6-difluoro-2-methylsulfanylpyrimidine (PubChem CID 14461144) has the molecular formula C5H4F2N2S and a molecular weight of 162.16 g/mol. Its IUPAC name is 4,6-difluoro-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4,6-difluoro-2-methylsulfanylpyrimidine
PubChem CID14461144
Molecular FormulaC5H4F2N2S
Molecular Weight162.16 g/mol
Exact Mass162.01
IUPAC Name4,6-difluoro-2-methylsulfanylpyrimidine
SMILESCSc1nc(F)cc(F)n1
InChIInChI=1S/C5H4F2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
InChIKeyDKOCBKCIRMJSSA-UHFFFAOYSA-N
XLogP1.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-methylsulfanylpyrimidine?
The IUPAC name of 4,6-difluoro-2-methylsulfanylpyrimidine (CID 14461144) is 4,6-difluoro-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4,6-difluoro-2-methylsulfanylpyrimidine?
The canonical SMILES for 4,6-difluoro-2-methylsulfanylpyrimidine is CSc1nc(F)cc(F)n1.
What is the InChIKey of 4,6-difluoro-2-methylsulfanylpyrimidine?
The InChIKey is DKOCBKCIRMJSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3.
What are the key properties of 4,6-difluoro-2-methylsulfanylpyrimidine?
4,6-difluoro-2-methylsulfanylpyrimidine has a molecular weight of 162.16 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-methylsulfanylpyrimidine is sourced from PubChem (CID 14461144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).