4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine

C13H13ClN2O2 — CID 55228710

IUPAC4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
SMILESCCc1c(Cl)ncnc1Oc1ccc(OC)cc1
InChIInChI=1S/C13H13ClN2O2/c1-3-11-12(14)15-8-16-13(11)18-10-6-4-9(17-2)5-7-10/h4-8H,3H2,1-2H3
InChIKeyPEJQTJIEXFZMOW-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.49
Rot. Bonds4

About 4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine

4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine (PubChem CID 55228710) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
PubChem CID55228710
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
SMILESCCc1c(Cl)ncnc1Oc1ccc(OC)cc1
InChIInChI=1S/C13H13ClN2O2/c1-3-11-12(14)15-8-16-13(11)18-10-6-4-9(17-2)5-7-10/h4-8H,3H2,1-2H3
InChIKeyPEJQTJIEXFZMOW-UHFFFAOYSA-N
XLogP3.49
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine
CID 63734002
4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 107664579
3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103566732
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128
7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline
CID 107313613
4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
CID 63734172
4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
CID 55229669
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
CID 107087636
4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107089155
4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine
CID 63735543

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine (CID 55228710) is 4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine is CCc1c(Cl)ncnc1Oc1ccc(OC)cc1.
What is the InChIKey of 4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine?
The InChIKey is PEJQTJIEXFZMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-3-11-12(14)15-8-16-13(11)18-10-6-4-9(17-2)5-7-10/h4-8H,3H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine?
4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine has a molecular weight of 264.71 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 55228710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).