4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine

C15H17ClN2O3 — CID 107664612

IUPAC4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine
SMILESCCc1ccc(Oc2cc(Cl)nc(COC)n2)c(OC)c1
InChIInChI=1S/C15H17ClN2O3/c1-4-10-5-6-11(12(7-10)20-3)21-15-8-13(16)17-14(18-15)9-19-2/h5-8H,4,9H2,1-3H3
InChIKeyBODHLHMPPRUGCH-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.64
Rot. Bonds6

About 4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine

4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine (PubChem CID 107664612) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine
PubChem CID107664612
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine
SMILESCCc1ccc(Oc2cc(Cl)nc(COC)n2)c(OC)c1
InChIInChI=1S/C15H17ClN2O3/c1-4-10-5-6-11(12(7-10)20-3)21-15-8-13(16)17-14(18-15)9-19-2/h5-8H,4,9H2,1-3H3
InChIKeyBODHLHMPPRUGCH-UHFFFAOYSA-N
XLogP3.64
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-chloro-2-propylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107742985
4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine
CID 107664625
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine
CID 82169576
4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine
CID 107664626
4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine
CID 80938633
[2-(4-ethyl-2-methoxyphenoxy)-6-methyl-4-pyridinyl]methanamine
CID 107663652
2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol
CID 107712360
2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 103866434
4-chloro-6-(4-chloro-2-methylphenoxy)-2-ethylpyrimidine
CID 80944599
3,5-dichloro-6-(4-ethyl-2-methoxyphenoxy)-N-methylpyridin-2-amine
CID 107669668
[6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine
CID 107668249
2-chloro-4-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 113341586

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine (CID 107664612) is 4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine is CCc1ccc(Oc2cc(Cl)nc(COC)n2)c(OC)c1.
What is the InChIKey of 4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine?
The InChIKey is BODHLHMPPRUGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-4-10-5-6-11(12(7-10)20-3)21-15-8-13(16)17-14(18-15)9-19-2/h5-8H,4,9H2,1-3H3.
What are the key properties of 4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine?
4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine has a molecular weight of 308.77 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine is sourced from PubChem (CID 107664612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).