2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid

C14H14N2O3 — CID 116820304

IUPAC2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid
SMILESCCc1ccccc1Oc1cc(CC(=O)O)ncn1
InChIInChI=1S/C14H14N2O3/c1-2-10-5-3-4-6-12(10)19-13-7-11(8-14(17)18)15-9-16-13/h3-7,9H,2,8H2,1H3,(H,17,18)
InChIKeyWUIPWHDJWUKROK-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.46
Rot. Bonds5

About 2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid

2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid (PubChem CID 116820304) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid
PubChem CID116820304
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid
SMILESCCc1ccccc1Oc1cc(CC(=O)O)ncn1
InChIInChI=1S/C14H14N2O3/c1-2-10-5-3-4-6-12(10)19-13-7-11(8-14(17)18)15-9-16-13/h3-7,9H,2,8H2,1H3,(H,17,18)
InChIKeyWUIPWHDJWUKROK-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

Analyze 2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid
CID 116820301
2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid
CID 116820289
2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 106973530
2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 61398539
3-(6-ethylpyrimidin-4-yl)oxy-4-iodobenzoic acid
CID 114103670
2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid
CID 83879728
2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid
CID 116820314
[6-(2-ethylphenoxy)-2-pyridinyl]methanol
CID 62240045
5-bromo-2-(6-ethylpyrimidin-4-yl)oxybenzoic acid
CID 107730256
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
2-(2-quinoxalin-2-yloxyphenyl)acetic acid
CID 80735910
2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid
CID 80741750

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid?
The IUPAC name of 2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid (CID 116820304) is 2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid.
What is the SMILES notation for 2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid?
The canonical SMILES for 2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid is CCc1ccccc1Oc1cc(CC(=O)O)ncn1.
What is the InChIKey of 2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid?
The InChIKey is WUIPWHDJWUKROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-10-5-3-4-6-12(10)19-13-7-11(8-14(17)18)15-9-16-13/h3-7,9H,2,8H2,1H3,(H,17,18).
What are the key properties of 2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid?
2-[6-(2-ethylphenoxy)pyrimidin-4-yl]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-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid is sourced from PubChem (CID 116820304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).