2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid

C14H14N2O3 — CID 61396292

IUPAC2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid
SMILESCc1ccc(Oc2cc(C)nc(C)n2)c(C(=O)O)c1
InChIInChI=1S/C14H14N2O3/c1-8-4-5-12(11(6-8)14(17)18)19-13-7-9(2)15-10(3)16-13/h4-7H,1-3H3,(H,17,18)
InChIKeyRETCOOLGDHGNBX-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.89
Rot. Bonds3

About 2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid

2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid (PubChem CID 61396292) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid
PubChem CID61396292
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid
SMILESCc1ccc(Oc2cc(C)nc(C)n2)c(C(=O)O)c1
InChIInChI=1S/C14H14N2O3/c1-8-4-5-12(11(6-8)14(17)18)19-13-7-9(2)15-10(3)16-13/h4-7H,1-3H3,(H,17,18)
InChIKeyRETCOOLGDHGNBX-UHFFFAOYSA-N
XLogP2.89
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid
CID 61396308
5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid
CID 61396364
5-methyl-2-pyridazin-3-yloxybenzoic acid
CID 62481837
2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
CID 55192437
2-aminooxy-5-methylbenzoic acid
CID 154678313
5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid
CID 61396377
2-(2-methyl-6-phenylpyrimidin-4-yl)oxybenzoic acid
CID 16643374
2-(4-fluorophenoxy)-5-methylbenzoic acid
CID 22767862
2-(5-fluoropyrimidin-2-yl)oxy-5-methylbenzoic acid
CID 104606523
2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid
CID 105363214
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid
CID 65274789
2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid
CID 43343579

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid (CID 61396292) is 2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid is Cc1ccc(Oc2cc(C)nc(C)n2)c(C(=O)O)c1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid?
The InChIKey is RETCOOLGDHGNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-4-5-12(11(6-8)14(17)18)19-13-7-9(2)15-10(3)16-13/h4-7H,1-3H3,(H,17,18).
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid?
2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid has a molecular weight of 258.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid is sourced from PubChem (CID 61396292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).