3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid

C13H12N2O4 — CID 55161660

IUPAC3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Oc1ncc(C)cn1
InChIInChI=1S/C13H12N2O4/c1-8-6-14-13(15-7-8)19-10-4-3-9(12(16)17)5-11(10)18-2/h3-7H,1-2H3,(H,16,17)
InChIKeyUVZRRHRPELMJIC-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.28
Rot. Bonds4

About 3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid

3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid (PubChem CID 55161660) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
PubChem CID55161660
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Oc1ncc(C)cn1
InChIInChI=1S/C13H12N2O4/c1-8-6-14-13(15-7-8)19-10-4-3-9(12(16)17)5-11(10)18-2/h3-7H,1-2H3,(H,16,17)
InChIKeyUVZRRHRPELMJIC-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

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Related Compounds

3,4-dimethoxybenzoic acid;methanol
CID 144580050
3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid
CID 79732948
4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide
CID 61147721
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
3-(5-fluoropyrimidin-2-yl)oxy-4-methylbenzoic acid
CID 113432161
3-fluoro-4-(2-methoxy-4-methylphenoxy)benzoic acid
CID 28604637
4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid
CID 83110917
4-(4-fluorophenoxy)-3-methoxybenzoic acid
CID 170440931
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335
2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine
CID 61146611
4-(2-aminophenoxy)-3-methoxybenzoic acid
CID 69280746

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid?
The IUPAC name of 3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid (CID 55161660) is 3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid.
What is the SMILES notation for 3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid?
The canonical SMILES for 3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid is COc1cc(C(=O)O)ccc1Oc1ncc(C)cn1.
What is the InChIKey of 3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid?
The InChIKey is UVZRRHRPELMJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-6-14-13(15-7-8)19-10-4-3-9(12(16)17)5-11(10)18-2/h3-7H,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid?
3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic 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 3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid is sourced from PubChem (CID 55161660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).