3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid

C13H12N2O6 — CID 142634334

IUPAC3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid
SMILESCOc1cc(OC)nc(Oc2cccc(C(=O)O)c2O)n1
InChIInChI=1S/C13H12N2O6/c1-19-9-6-10(20-2)15-13(14-9)21-8-5-3-4-7(11(8)16)12(17)18/h3-6,16H,1-2H3,(H,17,18)
InChIKeyPTKWPEVQFNLSFD-UHFFFAOYSA-N
MW292.25 g/mol
LogP1.69
Rot. Bonds5

About 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid

3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid (PubChem CID 142634334) has the molecular formula C13H12N2O6 and a molecular weight of 292.25 g/mol. Its IUPAC name is 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid
PubChem CID142634334
Molecular FormulaC13H12N2O6
Molecular Weight292.25 g/mol
Exact Mass292.07
IUPAC Name3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid
SMILESCOc1cc(OC)nc(Oc2cccc(C(=O)O)c2O)n1
InChIInChI=1S/C13H12N2O6/c1-19-9-6-10(20-2)15-13(14-9)21-8-5-3-4-7(11(8)16)12(17)18/h3-6,16H,1-2H3,(H,17,18)
InChIKeyPTKWPEVQFNLSFD-UHFFFAOYSA-N
XLogP1.69
TPSA111.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-(3-methylsulfonylphenyl)benzoic acid
CID 139816959
4-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 15611931
disodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate;hydride
CID 173060137
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid
CID 14880647
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid;5-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-4-methyl-1,3-oxazole
CID 54140847
2-(4,6-dimethoxypyrimidin-2-yl)selanylbenzoic acid
CID 162373277
[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
CID 54218781
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660
methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(N-hydroxy-C-methylcarbonimidoyl)benzoate
CID 85250122
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid
CID 19050637
sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate;2-pyrimidin-2-yloxypyrimidine
CID 70290550

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid?
The IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid (CID 142634334) is 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid.
What is the SMILES notation for 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid?
The canonical SMILES for 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid is COc1cc(OC)nc(Oc2cccc(C(=O)O)c2O)n1.
What is the InChIKey of 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid?
The InChIKey is PTKWPEVQFNLSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O6/c1-19-9-6-10(20-2)15-13(14-9)21-8-5-3-4-7(11(8)16)12(17)18/h3-6,16H,1-2H3,(H,17,18).
What are the key properties of 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid?
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid has a molecular weight of 292.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid is sourced from PubChem (CID 142634334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).