2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid

C17H20N2O6 — CID 166679044

IUPAC2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid
SMILESCOc1cc(CCc2cccc(OC)c2OCC(=O)O)nc(OC)n1
InChIInChI=1S/C17H20N2O6/c1-22-13-6-4-5-11(16(13)25-10-15(20)21)7-8-12-9-14(23-2)19-17(18-12)24-3/h4-6,9H,7-8,10H2,1-3H3,(H,20,21)
InChIKeyFNIOEQFBMJGHOI-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.75
Rot. Bonds9

About 2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid

2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid (PubChem CID 166679044) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid
PubChem CID166679044
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid
SMILESCOc1cc(CCc2cccc(OC)c2OCC(=O)O)nc(OC)n1
InChIInChI=1S/C17H20N2O6/c1-22-13-6-4-5-11(16(13)25-10-15(20)21)7-8-12-9-14(23-2)19-17(18-12)24-3/h4-6,9H,7-8,10H2,1-3H3,(H,20,21)
InChIKeyFNIOEQFBMJGHOI-UHFFFAOYSA-N
XLogP1.75
TPSA100.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid
CID 54487376
2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535746
2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid
CID 102536745
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43471479
2-[2-[(1-hydroxybutan-2-ylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535747
2-[2-[(E)-2-ethenylbut-2-enoxy]-3-methoxyphenyl]acetic acid
CID 139576303
3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 20992180
4-(2,3-dimethoxyphenyl)butanoic acid;hydrochloride
CID 139764480
2-[2-(hydroxymethyl)-6-methoxyphenoxy]acetamide
CID 964386
3-[2-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-methoxyphenyl]propanoic acid
CID 20987527
4-(2-ethoxy-3-methoxyphenyl)-2-oxobutanoic acid
CID 82185770

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid (CID 166679044) is 2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid is COc1cc(CCc2cccc(OC)c2OCC(=O)O)nc(OC)n1.
What is the InChIKey of 2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid?
The InChIKey is FNIOEQFBMJGHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-22-13-6-4-5-11(16(13)25-10-15(20)21)7-8-12-9-14(23-2)19-17(18-12)24-3/h4-6,9H,7-8,10H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid?
2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid has a molecular weight of 348.36 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid is sourced from PubChem (CID 166679044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).