4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine

C14H15ClN2O — CID 80943114

IUPAC4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(Oc2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H15ClN2O/c1-4-13-16-12(15)8-14(17-13)18-11-6-5-9(2)10(3)7-11/h5-8H,4H2,1-3H3
InChIKeyPAXXPMATFZVSLZ-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.10
Rot. Bonds3

About 4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine

4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine (PubChem CID 80943114) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine
PubChem CID80943114
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(Oc2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H15ClN2O/c1-4-13-16-12(15)8-14(17-13)18-11-6-5-9(2)10(3)7-11/h5-8H,4H2,1-3H3
InChIKeyPAXXPMATFZVSLZ-UHFFFAOYSA-N
XLogP4.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169176
3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80944453
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80944458
4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766697
4-chloro-6-(4-chloro-2-methylphenoxy)-2-ethylpyrimidine
CID 80944599
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
CID 80943842
4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine
CID 80942843
4-chloro-2-[2-(3,4-dimethylphenoxy)ethyl]-6-methoxypyrimidine
CID 82169515
4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine
CID 81332258
4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine
CID 80944144
4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine
CID 80943851
4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine
CID 80936399

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine?
The IUPAC name of 4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine (CID 80943114) is 4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine is CCc1nc(Cl)cc(Oc2ccc(C)c(C)c2)n1.
What is the InChIKey of 4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine?
The InChIKey is PAXXPMATFZVSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-4-13-16-12(15)8-14(17-13)18-11-6-5-9(2)10(3)7-11/h5-8H,4H2,1-3H3.
What are the key properties of 4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine?
4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine has a molecular weight of 262.74 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine is sourced from PubChem (CID 80943114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).