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

C13H12N2O4 — CID 116820301

IUPAC2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid
SMILESCOc1ccccc1Oc1cc(CC(=O)O)ncn1
InChIInChI=1S/C13H12N2O4/c1-18-10-4-2-3-5-11(10)19-12-6-9(7-13(16)17)14-8-15-12/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyTXTIAJVXVNLBAV-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.90
Rot. Bonds5

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

2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid (PubChem CID 116820301) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid
PubChem CID116820301
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid
SMILESCOc1ccccc1Oc1cc(CC(=O)O)ncn1
InChIInChI=1S/C13H12N2O4/c1-18-10-4-2-3-5-11(10)19-12-6-9(7-13(16)17)14-8-15-12/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyTXTIAJVXVNLBAV-UHFFFAOYSA-N
XLogP1.90
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid
CID 116820289
2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid
CID 116820304
2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 106973530
2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid
CID 83879728
2-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]acetic acid
CID 116820314
1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one
CID 113397442
1-[(2R)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-methylpropan-1-one
CID 93340843
2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 61398539
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805
3-(6-ethylpyrimidin-4-yl)oxy-4-iodobenzoic acid
CID 114103670
N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 95053242
2-(3-methoxy-2-pyridinyl)acetic acid
CID 53411457

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid?
The IUPAC name of 2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid (CID 116820301) is 2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid.
What is the SMILES notation for 2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid?
The canonical SMILES for 2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid is COc1ccccc1Oc1cc(CC(=O)O)ncn1.
What is the InChIKey of 2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid?
The InChIKey is TXTIAJVXVNLBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-18-10-4-2-3-5-11(10)19-12-6-9(7-13(16)17)14-8-15-12/h2-6,8H,7H2,1H3,(H,16,17).
What are the key properties of 2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid?
2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid has a molecular weight of 260.25 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid is sourced from PubChem (CID 116820301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).