4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine

C11H7Cl2FN2O2 — CID 19095715

IUPAC4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine
SMILESCOc1ccc(F)cc1Oc1c(Cl)ncnc1Cl
InChIInChI=1S/C11H7Cl2FN2O2/c1-17-7-3-2-6(14)4-8(7)18-9-10(12)15-5-16-11(9)13/h2-5H,1H3
InChIKeyKCJVIGGXQNPXHK-UHFFFAOYSA-N
MW289.09 g/mol
LogP3.72
Rot. Bonds3

About 4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine

4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine (PubChem CID 19095715) has the molecular formula C11H7Cl2FN2O2 and a molecular weight of 289.09 g/mol. Its IUPAC name is 4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine
PubChem CID19095715
Molecular FormulaC11H7Cl2FN2O2
Molecular Weight289.09 g/mol
Exact Mass287.99
IUPAC Name4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine
SMILESCOc1ccc(F)cc1Oc1c(Cl)ncnc1Cl
InChIInChI=1S/C11H7Cl2FN2O2/c1-17-7-3-2-6(14)4-8(7)18-9-10(12)15-5-16-11(9)13/h2-5H,1H3
InChIKeyKCJVIGGXQNPXHK-UHFFFAOYSA-N
XLogP3.72
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine
CID 10545706
4-Chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine
CID 11230678
4-(2-Chlorophenoxy)-5,6-difluoropyrimidine
CID 11053843
4,6-Dichloro-5-(2-methoxyphenoxy)-2-trifluoromethylpyrimidine
CID 18184264
4-(2-Chlorophenoxy)-5-fluoro-6-methoxypyrimidine
CID 18736656
4,6-Dichloro-5-(2-fluoro-6-methoxyphenoxy)pyrimidine
CID 19095657
4-chloro-N-[6-chloro-5-(5-fluoro-2-methoxy-phenoxy)-pyrimidin-4-yl]-benzenesulfonamide
CID 19095714
4,6-Dichloro-5-(4-fluoro-2-methoxyphenoxy)pyrimidine
CID 19095783
4,6-Dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-methylpyrimidine
CID 19095794
4,6-Dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine
CID 19095807
4-Chloro-5-fluoro-6-phenoxypyrimidine
CID 22613710
2-(6-Chloropyrimidin-4-yl)oxy-5-fluorophenol
CID 23728748

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine (CID 19095715) is 4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine is COc1ccc(F)cc1Oc1c(Cl)ncnc1Cl.
What is the InChIKey of 4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine?
The InChIKey is KCJVIGGXQNPXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O2/c1-17-7-3-2-6(14)4-8(7)18-9-10(12)15-5-16-11(9)13/h2-5H,1H3.
What are the key properties of 4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine?
4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine has a molecular weight of 289.09 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(5-fluoro-2-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 19095715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).