4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine

C11H8ClFN2OS — CID 112724426

IUPAC4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C11H8ClFN2OS/c1-17-11-14-9(12)6-10(15-11)16-8-4-2-7(13)3-5-8/h2-6H,1H3
InChIKeyZQLSGORDDIMVKW-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.78
Rot. Bonds3

About 4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine

4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine (PubChem CID 112724426) has the molecular formula C11H8ClFN2OS and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine
PubChem CID112724426
Molecular FormulaC11H8ClFN2OS
Molecular Weight270.72 g/mol
Exact Mass270.00
IUPAC Name4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C11H8ClFN2OS/c1-17-11-14-9(12)6-10(15-11)16-8-4-2-7(13)3-5-8/h2-6H,1H3
InChIKeyZQLSGORDDIMVKW-UHFFFAOYSA-N
XLogP3.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine (CID 112724426) is 4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(Oc2ccc(F)cc2)n1.
What is the InChIKey of 4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine?
The InChIKey is ZQLSGORDDIMVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2OS/c1-17-11-14-9(12)6-10(15-11)16-8-4-2-7(13)3-5-8/h2-6H,1H3.
What are the key properties of 4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine?
4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine has a molecular weight of 270.72 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-fluorophenoxy)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 112724426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).