4-chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine

C11H8ClFN2OS — CID 118960406

IUPAC4-chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine
SMILESCSc1cc(Cl)nc(Oc2cccc(F)c2)n1
InChIInChI=1S/C11H8ClFN2OS/c1-17-10-6-9(12)14-11(15-10)16-8-4-2-3-7(13)5-8/h2-6H,1H3
InChIKeyMZPRUKQSOSVXAV-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.78
Rot. Bonds3

About 4-chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine

4-chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine (PubChem CID 118960406) has the molecular formula C11H8ClFN2OS and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine
PubChem CID118960406
Molecular FormulaC11H8ClFN2OS
Molecular Weight270.72 g/mol
Exact Mass270.00
IUPAC Name4-chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine
SMILESCSc1cc(Cl)nc(Oc2cccc(F)c2)n1
InChIInChI=1S/C11H8ClFN2OS/c1-17-10-6-9(12)14-11(15-10)16-8-4-2-3-7(13)5-8/h2-6H,1H3
InChIKeyMZPRUKQSOSVXAV-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-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine (CID 118960406) is 4-chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine is CSc1cc(Cl)nc(Oc2cccc(F)c2)n1.
What is the InChIKey of 4-chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine?
The InChIKey is MZPRUKQSOSVXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2OS/c1-17-10-6-9(12)14-11(15-10)16-8-4-2-3-7(13)5-8/h2-6H,1H3.
What are the key properties of 4-chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine?
4-chloro-2-(3-fluorophenoxy)-6-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-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine is sourced from PubChem (CID 118960406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).