4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine

C13H12Cl2N2O — CID 80942843

IUPAC4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(Oc2cc(C)ccc2Cl)n1
InChIInChI=1S/C13H12Cl2N2O/c1-3-12-16-11(15)7-13(17-12)18-10-6-8(2)4-5-9(10)14/h4-7H,3H2,1-2H3
InChIKeySYANEXIEUZKGKW-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.45
Rot. Bonds3

About 4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine

4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine (PubChem CID 80942843) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine
PubChem CID80942843
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(Oc2cc(C)ccc2Cl)n1
InChIInChI=1S/C13H12Cl2N2O/c1-3-12-16-11(15)7-13(17-12)18-10-6-8(2)4-5-9(10)14/h4-7H,3H2,1-2H3
InChIKeySYANEXIEUZKGKW-UHFFFAOYSA-N
XLogP4.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine
CID 80943851
4-chloro-2-ethyl-6-(4-methyl-2-nitrophenoxy)pyrimidine
CID 80944763
4-chloro-6-(4-chloro-2-methylphenoxy)-2-ethylpyrimidine
CID 80944599
4-chloro-6-(2-fluoro-5-methylphenoxy)-2-propylpyrimidine
CID 80940227
6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942372
4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine
CID 80944144
6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80942643
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine
CID 60706705
4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine
CID 80943114
2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine
CID 62239031
6-(2-chloro-5-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80942269
4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169176

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine?
The IUPAC name of 4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine (CID 80942843) is 4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine is CCc1nc(Cl)cc(Oc2cc(C)ccc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine?
The InChIKey is SYANEXIEUZKGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-3-12-16-11(15)7-13(17-12)18-10-6-8(2)4-5-9(10)14/h4-7H,3H2,1-2H3.
What are the key properties of 4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine?
4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine has a molecular weight of 283.16 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine is sourced from PubChem (CID 80942843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).