2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid

C16H18N2O3 — CID 106792870

IUPAC2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
SMILESCOc1cc(C)ccc1-c1nc(C)c(CC(=O)O)c(C)n1
InChIInChI=1S/C16H18N2O3/c1-9-5-6-12(14(7-9)21-4)16-17-10(2)13(8-15(19)20)11(3)18-16/h5-7H,8H2,1-4H3,(H,19,20)
InChIKeyXOJICXBPIYTZLW-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.70
Rot. Bonds4

About 2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid

2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid (PubChem CID 106792870) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
PubChem CID106792870
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
SMILESCOc1cc(C)ccc1-c1nc(C)c(CC(=O)O)c(C)n1
InChIInChI=1S/C16H18N2O3/c1-9-5-6-12(14(7-9)21-4)16-17-10(2)13(8-15(19)20)11(3)18-16/h5-7H,8H2,1-4H3,(H,19,20)
InChIKeyXOJICXBPIYTZLW-UHFFFAOYSA-N
XLogP2.70
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 106793273
4-amino-2-(2-methoxy-4-methylphenyl)-6-methylpyrimidine-5-carboxamide
CID 106793665
1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone
CID 106793219
2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid
CID 61269584
2-[2-(2-hydroxyphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 137013046
2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid
CID 133099700
(1S)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106793259
2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 68641689
4-(2-methoxy-4-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 106793544
2-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 106789780
(1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 106793249
ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate
CID 106793658

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid (CID 106792870) is 2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid is COc1cc(C)ccc1-c1nc(C)c(CC(=O)O)c(C)n1.
What is the InChIKey of 2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid?
The InChIKey is XOJICXBPIYTZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9-5-6-12(14(7-9)21-4)16-17-10(2)13(8-15(19)20)11(3)18-16/h5-7H,8H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid?
2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid is sourced from PubChem (CID 106792870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).