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

C12H9Cl2FN2O2 — CID 19095794

IUPAC4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-methylpyrimidine
SMILESCOc1cc(F)ccc1Oc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C12H9Cl2FN2O2/c1-6-16-11(13)10(12(14)17-6)19-8-4-3-7(15)5-9(8)18-2/h3-5H,1-2H3
InChIKeyPKCFAPSJYPKHKT-UHFFFAOYSA-N
MW303.12 g/mol
LogP4.03
Rot. Bonds3

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

4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-methylpyrimidine (PubChem CID 19095794) has the molecular formula C12H9Cl2FN2O2 and a molecular weight of 303.12 g/mol. Its IUPAC name is 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-methylpyrimidine
PubChem CID19095794
Molecular FormulaC12H9Cl2FN2O2
Molecular Weight303.12 g/mol
Exact Mass302.00
IUPAC Name4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-methylpyrimidine
SMILESCOc1cc(F)ccc1Oc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C12H9Cl2FN2O2/c1-6-16-11(13)10(12(14)17-6)19-8-4-3-7(15)5-9(8)18-2/h3-5H,1-2H3
InChIKeyPKCFAPSJYPKHKT-UHFFFAOYSA-N
XLogP4.03
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 54.03
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)-2-methylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-methylpyrimidine (CID 19095794) is 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-methylpyrimidine is COc1cc(F)ccc1Oc1c(Cl)nc(C)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-methylpyrimidine?
The InChIKey is PKCFAPSJYPKHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O2/c1-6-16-11(13)10(12(14)17-6)19-8-4-3-7(15)5-9(8)18-2/h3-5H,1-2H3.
What are the key properties of 4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-methylpyrimidine?
4,6-dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-methylpyrimidine has a molecular weight of 303.12 g/mol, XLogP of 4.03, 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)-2-methylpyrimidine is sourced from PubChem (CID 19095794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).