2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid

C14H14N2O5 — CID 15611984

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid
SMILESCOc1cc(OC)nc(Oc2cccc(C)c2C(=O)O)n1
InChIInChI=1S/C14H14N2O5/c1-8-5-4-6-9(12(8)13(17)18)21-14-15-10(19-2)7-11(16-14)20-3/h4-7H,1-3H3,(H,17,18)
InChIKeyTWWUBQGYUYOWEU-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.29
Rot. Bonds5

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

2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid (PubChem CID 15611984) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid
PubChem CID15611984
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid
SMILESCOc1cc(OC)nc(Oc2cccc(C)c2C(=O)O)n1
InChIInChI=1S/C14H14N2O5/c1-8-5-4-6-9(12(8)13(17)18)21-14-15-10(19-2)7-11(16-14)20-3/h4-7H,1-3H3,(H,17,18)
InChIKeyTWWUBQGYUYOWEU-UHFFFAOYSA-N
XLogP2.29
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid (CID 15611984) is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid is COc1cc(OC)nc(Oc2cccc(C)c2C(=O)O)n1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid?
The InChIKey is TWWUBQGYUYOWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-8-5-4-6-9(12(8)13(17)18)21-14-15-10(19-2)7-11(16-14)20-3/h4-7H,1-3H3,(H,17,18).
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid?
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid has a molecular weight of 290.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylbenzoic acid is sourced from PubChem (CID 15611984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).