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

C11H7Cl2FN2O2 — CID 19095783

IUPAC4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)pyrimidine
SMILESCOc1cc(F)ccc1Oc1c(Cl)ncnc1Cl
InChIInChI=1S/C11H7Cl2FN2O2/c1-17-8-4-6(14)2-3-7(8)18-9-10(12)15-5-16-11(9)13/h2-5H,1H3
InChIKeyIOMGHJFYGUVTBZ-UHFFFAOYSA-N
MW289.09 g/mol
LogP3.72
Rot. Bonds3

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

4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)pyrimidine (PubChem CID 19095783) has the molecular formula C11H7Cl2FN2O2 and a molecular weight of 289.09 g/mol. Its IUPAC name is 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)pyrimidine
PubChem CID19095783
Molecular FormulaC11H7Cl2FN2O2
Molecular Weight289.09 g/mol
Exact Mass287.99
IUPAC Name4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)pyrimidine
SMILESCOc1cc(F)ccc1Oc1c(Cl)ncnc1Cl
InChIInChI=1S/C11H7Cl2FN2O2/c1-17-8-4-6(14)2-3-7(8)18-9-10(12)15-5-16-11(9)13/h2-5H,1H3
InChIKeyIOMGHJFYGUVTBZ-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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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)pyrimidine (CID 19095783) is 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)pyrimidine is COc1cc(F)ccc1Oc1c(Cl)ncnc1Cl.
What is the InChIKey of 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)pyrimidine?
The InChIKey is IOMGHJFYGUVTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O2/c1-17-8-4-6(14)2-3-7(8)18-9-10(12)15-5-16-11(9)13/h2-5H,1H3.
What are the key properties of 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)pyrimidine?
4,6-dichloro-5-(4-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-(4-fluoro-2-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 19095783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).