2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid

C14H14N2O3 — CID 61398539

IUPAC2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid
SMILESCCc1cc(Oc2cccc(CC(=O)O)c2)ncn1
InChIInChI=1S/C14H14N2O3/c1-2-11-8-13(16-9-15-11)19-12-5-3-4-10(6-12)7-14(17)18/h3-6,8-9H,2,7H2,1H3,(H,17,18)
InChIKeyVUPNQSYYRQZUSZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.46
Rot. Bonds5

About 2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid

2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid (PubChem CID 61398539) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid
PubChem CID61398539
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid
SMILESCCc1cc(Oc2cccc(CC(=O)O)c2)ncn1
InChIInChI=1S/C14H14N2O3/c1-2-11-8-13(16-9-15-11)19-12-5-3-4-10(6-12)7-14(17)18/h3-6,8-9H,2,7H2,1H3,(H,17,18)
InChIKeyVUPNQSYYRQZUSZ-UHFFFAOYSA-N
XLogP2.46
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid
CID 116820304
2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398552
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid
CID 116820314
2-(3-quinazolin-4-yloxyphenyl)acetic acid
CID 61398015
2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 104606526
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399
5-(6-ethylpyrimidin-4-yl)oxypyridine-3-carboxylic acid
CID 63852581
2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid
CID 87856736
2-[3-(ethoxymethoxy)phenyl]acetic acid
CID 65364927
2-(3-octoxyphenyl)acetic acid
CID 11975056
2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid
CID 116820289

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid (CID 61398539) is 2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid is CCc1cc(Oc2cccc(CC(=O)O)c2)ncn1.
What is the InChIKey of 2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid?
The InChIKey is VUPNQSYYRQZUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-11-8-13(16-9-15-11)19-12-5-3-4-10(6-12)7-14(17)18/h3-6,8-9H,2,7H2,1H3,(H,17,18).
What are the key properties of 2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid?
2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid has a molecular weight of 258.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 61398539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).