4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine

C12H9Cl2FN2O — CID 63878128

IUPAC4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
SMILESCCc1c(Cl)ncnc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H9Cl2FN2O/c1-2-8-11(14)16-6-17-12(8)18-7-3-4-10(15)9(13)5-7/h3-6H,2H2,1H3
InChIKeyPBPJRBXBFGSKLM-UHFFFAOYSA-N
MW287.12 g/mol
LogP4.28
Rot. Bonds3

About 4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine

4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine (PubChem CID 63878128) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is 4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
PubChem CID63878128
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
SMILESCCc1c(Cl)ncnc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H9Cl2FN2O/c1-2-8-11(14)16-6-17-12(8)18-7-3-4-10(15)9(13)5-7/h3-6H,2H2,1H3
InChIKeyPBPJRBXBFGSKLM-UHFFFAOYSA-N
XLogP4.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine
CID 63734002
4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine
CID 107087892
4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline
CID 107313613
4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 107664579
4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
CID 63734172
4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine
CID 63735722
6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80875220
4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
CID 60726316
5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 102747880
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine?
The IUPAC name of 4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine (CID 63878128) is 4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine is CCc1c(Cl)ncnc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine?
The InChIKey is PBPJRBXBFGSKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c1-2-8-11(14)16-6-17-12(8)18-7-3-4-10(15)9(13)5-7/h3-6H,2H2,1H3.
What are the key properties of 4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine?
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine has a molecular weight of 287.12 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine is sourced from PubChem (CID 63878128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).