3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid

C14H14N2O4 — CID 79732948

IUPAC3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1Oc1nc(C)cc(C)n1
InChIInChI=1S/C14H14N2O4/c1-8-6-9(2)16-14(15-8)20-12-7-10(13(17)18)4-5-11(12)19-3/h4-7H,1-3H3,(H,17,18)
InChIKeyAOYFBXISEMEDIW-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.59
Rot. Bonds4

About 3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid

3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid (PubChem CID 79732948) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid
PubChem CID79732948
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1Oc1nc(C)cc(C)n1
InChIInChI=1S/C14H14N2O4/c1-8-6-9(2)16-14(15-8)20-12-7-10(13(17)18)4-5-11(12)19-3/h4-7H,1-3H3,(H,17,18)
InChIKeyAOYFBXISEMEDIW-UHFFFAOYSA-N
XLogP2.59
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxybenzoic acid;methanol
CID 144580050
3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 55161660
3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid
CID 79732438
4-methyl-3-(4-methylpyrimidin-2-yl)oxybenzoic acid
CID 62960017
4-methoxy-3-pyrazin-2-yloxybenzoic acid
CID 79732439
4-bromo-3-(4-methylpyrimidin-2-yl)oxybenzoic acid
CID 114103616
4-(2-methoxyphenoxy)-3-methylbenzoic acid
CID 62120451
4-methoxy-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]benzoic acid
CID 114450108
3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid
CID 79732848
3-hydroxy-4-methoxybenzoic acid
CID 12575
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid (CID 79732948) is 3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1Oc1nc(C)cc(C)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid?
The InChIKey is AOYFBXISEMEDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-6-9(2)16-14(15-8)20-12-7-10(13(17)18)4-5-11(12)19-3/h4-7H,1-3H3,(H,17,18).
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid?
3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid has a molecular weight of 274.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid is sourced from PubChem (CID 79732948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).