4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine

C14H15ClN2O — CID 55229669

IUPAC4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
SMILESCCc1ccccc1Oc1ncnc(Cl)c1CC
InChIInChI=1S/C14H15ClN2O/c1-3-10-7-5-6-8-12(10)18-14-11(4-2)13(15)16-9-17-14/h5-9H,3-4H2,1-2H3
InChIKeyLKUDLAZDKLIVQP-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.05
Rot. Bonds4

About 4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine

4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine (PubChem CID 55229669) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
PubChem CID55229669
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
SMILESCCc1ccccc1Oc1ncnc(Cl)c1CC
InChIInChI=1S/C14H15ClN2O/c1-3-10-7-5-6-8-12(10)18-14-11(4-2)13(15)16-9-17-14/h5-9H,3-4H2,1-2H3
InChIKeyLKUDLAZDKLIVQP-UHFFFAOYSA-N
XLogP4.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-ethyl-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 63735054
6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine
CID 13075482
4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
4-chloro-5-ethyl-6-phenylmethoxypyrimidine
CID 55230236
4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine
CID 63734858
4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine
CID 63735722
4-chloro-5-(chloromethyl)-6-(2-iodophenoxy)pyrimidine
CID 107087736
4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine
CID 63734002
[2-(6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 55229285
3,6-dichloro-5-(2-ethylphenoxy)-1,2,4-triazine
CID 81036264
4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine
CID 63734722

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine (CID 55229669) is 4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine is CCc1ccccc1Oc1ncnc(Cl)c1CC.
What is the InChIKey of 4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine?
The InChIKey is LKUDLAZDKLIVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-3-10-7-5-6-8-12(10)18-14-11(4-2)13(15)16-9-17-14/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine?
4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine has a molecular weight of 262.74 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine is sourced from PubChem (CID 55229669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).