5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid

C13H12N2O3 — CID 61396364

IUPAC5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid
SMILESCc1ccc(Oc2cc(C)ncn2)c(C(=O)O)c1
InChIInChI=1S/C13H12N2O3/c1-8-3-4-11(10(5-8)13(16)17)18-12-6-9(2)14-7-15-12/h3-7H,1-2H3,(H,16,17)
InChIKeyIPXMYRYLSPVZLI-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.58
Rot. Bonds3

About 5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid

5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid (PubChem CID 61396364) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid
PubChem CID61396364
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid
SMILESCc1ccc(Oc2cc(C)ncn2)c(C(=O)O)c1
InChIInChI=1S/C13H12N2O3/c1-8-3-4-11(10(5-8)13(16)17)18-12-6-9(2)14-7-15-12/h3-7H,1-2H3,(H,16,17)
InChIKeyIPXMYRYLSPVZLI-UHFFFAOYSA-N
XLogP2.58
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid
CID 61396377
2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid
CID 61396292
5-methyl-2-pyridazin-3-yloxybenzoic acid
CID 62481837
5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid
CID 61396308
2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
CID 55192437
2-(5-fluoropyrimidin-2-yl)oxy-5-methylbenzoic acid
CID 104606523
5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid
CID 61396250
5-bromo-2-(6-ethylpyrimidin-4-yl)oxybenzoic acid
CID 107730256
2-aminooxy-5-methylbenzoic acid
CID 154678313
2-(4-fluorophenoxy)-5-methylbenzoic acid
CID 22767862
5-(6-methylpyrimidin-4-yl)oxy-2-nitrobenzoic acid
CID 107077807
S-methyl 3-methoxy-2-[2-(6-methylpyrimidin-4-yl)oxyphenyl]prop-2-enethioate
CID 54208912

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid?
The IUPAC name of 5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid (CID 61396364) is 5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid?
The canonical SMILES for 5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid is Cc1ccc(Oc2cc(C)ncn2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid?
The InChIKey is IPXMYRYLSPVZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-3-4-11(10(5-8)13(16)17)18-12-6-9(2)14-7-15-12/h3-7H,1-2H3,(H,16,17).
What are the key properties of 5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid?
5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid has a molecular weight of 244.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 61396364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).