2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid

C13H12N2O4 — CID 83181861

IUPAC2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid
SMILESCOc1ccccc1Oc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C13H12N2O4/c1-8-9(12(16)17)7-14-13(15-8)19-11-6-4-3-5-10(11)18-2/h3-7H,1-2H3,(H,16,17)
InChIKeyBIFSMMHVDDPXQN-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.28
Rot. Bonds4

About 2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid

2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181861) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181861
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid
SMILESCOc1ccccc1Oc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C13H12N2O4/c1-8-9(12(16)17)7-14-13(15-8)19-11-6-4-3-5-10(11)18-2/h3-7H,1-2H3,(H,16,17)
InChIKeyBIFSMMHVDDPXQN-UHFFFAOYSA-N
XLogP2.28
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic 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-(2-acetamidophenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83178889
2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181646
4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid
CID 83181490
2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 107656699
2-(4-chloro-3,5-dimethylphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181128
2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid
CID 107708674
2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid
CID 83181645
4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid
CID 83181940
4-methyl-2-(2-methyl-6-nitrophenoxy)pyrimidine-5-carboxylic acid
CID 83180726
4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid
CID 83180987
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805
3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid
CID 63206053

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid (CID 83181861) is 2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid is COc1ccccc1Oc1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is BIFSMMHVDDPXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-9(12(16)17)7-14-13(15-8)19-11-6-4-3-5-10(11)18-2/h3-7H,1-2H3,(H,16,17).
What are the key properties of 2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid?
2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).