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

C19H16N2O5 — CID 14880647

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid
SMILESCOc1cc(OC)nc(Oc2cccc(-c3ccccc3)c2C(=O)O)n1
InChIInChI=1S/C19H16N2O5/c1-24-15-11-16(25-2)21-19(20-15)26-14-10-6-9-13(17(14)18(22)23)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,22,23)
InChIKeyWXUAITUHDSCEPQ-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.65
Rot. Bonds6

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

2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid (PubChem CID 14880647) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid
PubChem CID14880647
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid
SMILESCOc1cc(OC)nc(Oc2cccc(-c3ccccc3)c2C(=O)O)n1
InChIInChI=1S/C19H16N2O5/c1-24-15-11-16(25-2)21-19(20-15)26-14-10-6-9-13(17(14)18(22)23)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,22,23)
InChIKeyWXUAITUHDSCEPQ-UHFFFAOYSA-N
XLogP3.65
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzenecarbothioic S-acid
CID 19901305
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid
CID 19050637
2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid
CID 134110522
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid
CID 134122311
disodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate;hydride
CID 173060137
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-pentylbenzoic acid
CID 67737510
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid
CID 142634334
[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
CID 54218781
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
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)oxybenzenecarbothioic S-acid
CID 88600635
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 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid (CID 14880647) is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid is COc1cc(OC)nc(Oc2cccc(-c3ccccc3)c2C(=O)O)n1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid?
The InChIKey is WXUAITUHDSCEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-24-15-11-16(25-2)21-19(20-15)26-14-10-6-9-13(17(14)18(22)23)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,22,23).
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid?
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid has a molecular weight of 352.35 g/mol, XLogP of 3.65, 6 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-phenylbenzoic acid is sourced from PubChem (CID 14880647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).