2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid

C19H17N3O5 — CID 19050637

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid
SMILESCOc1cc(OC)nc(Oc2cccc(-c3cccc(C)n3)c2C(=O)O)n1
InChIInChI=1S/C19H17N3O5/c1-11-6-4-8-13(20-11)12-7-5-9-14(17(12)18(23)24)27-19-21-15(25-2)10-16(22-19)26-3/h4-10H,1-3H3,(H,23,24)
InChIKeyIHJXTYACBSBDPA-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.35
Rot. Bonds6

About 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid

2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid (PubChem CID 19050637) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid
PubChem CID19050637
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid
SMILESCOc1cc(OC)nc(Oc2cccc(-c3cccc(C)n3)c2C(=O)O)n1
InChIInChI=1S/C19H17N3O5/c1-11-6-4-8-13(20-11)12-7-5-9-14(17(12)18(23)24)27-19-21-15(25-2)10-16(22-19)26-3/h4-10H,1-3H3,(H,23,24)
InChIKeyIHJXTYACBSBDPA-UHFFFAOYSA-N
XLogP3.35
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid
CID 14880647
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzenecarbothioic S-acid
CID 19901305
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-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 15389849
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid;5-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-4-methyl-1,3-oxazole
CID 54140847
sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate;2-pyrimidin-2-yloxypyrimidine
CID 70290550
2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(1H-pyrrol-2-yl)benzoic acid
CID 70423004
[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
CID 54218781
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid
CID 134122311
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid (CID 19050637) is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid is COc1cc(OC)nc(Oc2cccc(-c3cccc(C)n3)c2C(=O)O)n1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid?
The InChIKey is IHJXTYACBSBDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-11-6-4-8-13(20-11)12-7-5-9-14(17(12)18(23)24)27-19-21-15(25-2)10-16(22-19)26-3/h4-10H,1-3H3,(H,23,24).
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid?
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid has a molecular weight of 367.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid is sourced from PubChem (CID 19050637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).