2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid

C13H12N2O5 — CID 107554624

IUPAC2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid
SMILESCOc1cc(OC)cc(Oc2nccc(C(=O)O)n2)c1
InChIInChI=1S/C13H12N2O5/c1-18-8-5-9(19-2)7-10(6-8)20-13-14-4-3-11(15-13)12(16)17/h3-7H,1-2H3,(H,16,17)
InChIKeyZSSCMKBUFDKFTD-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.98
Rot. Bonds5

About 2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid

2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid (PubChem CID 107554624) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid
PubChem CID107554624
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid
SMILESCOc1cc(OC)cc(Oc2nccc(C(=O)O)n2)c1
InChIInChI=1S/C13H12N2O5/c1-18-8-5-9(19-2)7-10(6-8)20-13-14-4-3-11(15-13)12(16)17/h3-7H,1-2H3,(H,16,17)
InChIKeyZSSCMKBUFDKFTD-UHFFFAOYSA-N
XLogP1.98
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554877
2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine
CID 116797544
2-[4-(hydroxymethyl)-2-methoxyphenoxy]pyrimidine-4-carboxylic acid
CID 107744872
4-(3,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223777
2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
CID 107554746
2-(4-chloro-2,6-dimethylphenoxy)pyrimidine-4-carboxylic acid
CID 107554749
1-(2-phenoxypyrimidin-4-yl)ethanone
CID 142223443
2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidine-4-carboxylic acid
CID 107555049
2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid
CID 107555050
4-(6-methoxynaphthalen-2-yl)pyridine-2-carboxylic acid
CID 58138528
2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid
CID 107554641
2-(4-methoxyphenyl)sulfanylpyrimidine-4-carboxylic acid
CID 107555127

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid (CID 107554624) is 2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid is COc1cc(OC)cc(Oc2nccc(C(=O)O)n2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid?
The InChIKey is ZSSCMKBUFDKFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-18-8-5-9(19-2)7-10(6-8)20-13-14-4-3-11(15-13)12(16)17/h3-7H,1-2H3,(H,16,17).
What are the key properties of 2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid?
2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid has a molecular weight of 276.25 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).