4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine

C13H12ClFN2O — CID 107169176

IUPAC4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine
SMILESCCc1nc(Cl)cc(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H12ClFN2O/c1-3-12-16-11(14)7-13(17-12)18-9-5-4-8(2)10(15)6-9/h4-7H,3H2,1-2H3
InChIKeyXDWVEAGSUPPJPF-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.93
Rot. Bonds3

About 4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine

4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine (PubChem CID 107169176) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine
PubChem CID107169176
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine
SMILESCCc1nc(Cl)cc(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H12ClFN2O/c1-3-12-16-11(14)7-13(17-12)18-9-5-4-8(2)10(15)6-9/h4-7H,3H2,1-2H3
InChIKeyXDWVEAGSUPPJPF-UHFFFAOYSA-N
XLogP3.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine
CID 80943114
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80944458
4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
CID 107169142
2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169197
4-chloro-6-(4-chloro-2-methylphenoxy)-2-ethylpyrimidine
CID 80944599
3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80944453
4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine
CID 81332258
6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine
CID 80942481
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
CID 80943842
6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 80943528
4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine
CID 80942843
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 107664678

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine (CID 107169176) is 4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine is CCc1nc(Cl)cc(Oc2ccc(C)c(F)c2)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine?
The InChIKey is XDWVEAGSUPPJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-3-12-16-11(14)7-13(17-12)18-9-5-4-8(2)10(15)6-9/h4-7H,3H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine?
4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine has a molecular weight of 266.70 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine is sourced from PubChem (CID 107169176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).