4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine

C12H9Cl2FN2O — CID 82716251

IUPAC4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(Oc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C12H9Cl2FN2O/c1-6-11(14)16-7(2)17-12(6)18-8-3-4-9(13)10(15)5-8/h3-5H,1-2H3
InChIKeyMEOGDEKVMQHKJN-UHFFFAOYSA-N
MW287.12 g/mol
LogP4.33
Rot. Bonds2

About 4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine

4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine (PubChem CID 82716251) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is 4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine
PubChem CID82716251
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(Oc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C12H9Cl2FN2O/c1-6-11(14)16-7(2)17-12(6)18-8-3-4-9(13)10(15)5-8/h3-5H,1-2H3
InChIKeyMEOGDEKVMQHKJN-UHFFFAOYSA-N
XLogP4.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine (CID 82716251) is 4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine is Cc1nc(Cl)c(C)c(Oc2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine?
The InChIKey is MEOGDEKVMQHKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c1-6-11(14)16-7(2)17-12(6)18-8-3-4-9(13)10(15)5-8/h3-5H,1-2H3.
What are the key properties of 4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine?
4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine has a molecular weight of 287.12 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine is sourced from PubChem (CID 82716251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).