4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid

C11H14N2O4 — CID 84799108

IUPAC4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid
SMILESCOc1cnc(C2(C(=O)O)CCOCC2)nc1
InChIInChI=1S/C11H14N2O4/c1-16-8-6-12-9(13-7-8)11(10(14)15)2-4-17-5-3-11/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyVNOUCUKLXBGNFF-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.62
Rot. Bonds3

About 4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid

4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid (PubChem CID 84799108) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid
PubChem CID84799108
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid
SMILESCOc1cnc(C2(C(=O)O)CCOCC2)nc1
InChIInChI=1S/C11H14N2O4/c1-16-8-6-12-9(13-7-8)11(10(14)15)2-4-17-5-3-11/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyVNOUCUKLXBGNFF-UHFFFAOYSA-N
XLogP0.62
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Methylpyrimidin-5-yl)oxybutanoic acid
CID 57550970
[2-(4-Ethoxycarbonyl-4-methylpiperidin-1-yl)pyrimidin-5-yl]oxyboronic acid
CID 142793909
[2-[4-Ethoxycarbonyl-4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]oxyboronic acid
CID 142793910
4-(2-Acetylpyrimidin-5-yl)oxybutanoic acid
CID 155388090
Tert-butyl 4-[2-(1-ethoxyethenyl)pyrimidin-5-yl]oxybutanoate
CID 155398949
2-[2-(2-Chloropyrimidin-5-yl)oxyethyl]-3,3-dimethylbutanoic acid
CID 174202346
Ethyl 2-(5-hydroxypyrimidin-2-yl)-2-methylpropanoate
CID 176157244
2-(5-Methoxypyrimidin-2-yl)propanoic acid
CID 84768663
3-(5-Methoxypyrimidin-2-yl)propanoic acid
CID 84768665
1-(5-Methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid
CID 84773073
3-(5-Methoxypyrimidin-2-yl)-2-methylpropanoic acid
CID 84773888
3-(5-Methoxypyrimidin-2-yl)butanoic acid
CID 84773889

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid?
The IUPAC name of 4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid (CID 84799108) is 4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid?
The canonical SMILES for 4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid is COc1cnc(C2(C(=O)O)CCOCC2)nc1.
What is the InChIKey of 4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid?
The InChIKey is VNOUCUKLXBGNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-16-8-6-12-9(13-7-8)11(10(14)15)2-4-17-5-3-11/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid?
4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxypyrimidin-2-yl)oxane-4-carboxylic acid is sourced from PubChem (CID 84799108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).