4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine

C11H7ClF2N2OS — CID 80544725

IUPAC4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(Oc2cc(F)ccc2F)n1
InChIInChI=1S/C11H7ClF2N2OS/c1-18-11-15-9(12)5-10(16-11)17-8-4-6(13)2-3-7(8)14/h2-5H,1H3
InChIKeyAGPKFSJHOLNRIT-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.92
Rot. Bonds3

About 4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine

4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine (PubChem CID 80544725) has the molecular formula C11H7ClF2N2OS and a molecular weight of 288.71 g/mol. Its IUPAC name is 4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine
PubChem CID80544725
Molecular FormulaC11H7ClF2N2OS
Molecular Weight288.71 g/mol
Exact Mass287.99
IUPAC Name4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(Oc2cc(F)ccc2F)n1
InChIInChI=1S/C11H7ClF2N2OS/c1-18-11-15-9(12)5-10(16-11)17-8-4-6(13)2-3-7(8)14/h2-5H,1H3
InChIKeyAGPKFSJHOLNRIT-UHFFFAOYSA-N
XLogP3.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine (CID 80544725) is 4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(Oc2cc(F)ccc2F)n1.
What is the InChIKey of 4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine?
The InChIKey is AGPKFSJHOLNRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2OS/c1-18-11-15-9(12)5-10(16-11)17-8-4-6(13)2-3-7(8)14/h2-5H,1H3.
What are the key properties of 4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine?
4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine has a molecular weight of 288.71 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-difluorophenoxy)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 80544725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).