5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid

C11H14N2O4 — CID 83824583

IUPAC5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid
SMILESCOc1cnc(C2CCOCC2)nc1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-16-8-6-12-10(13-9(8)11(14)15)7-2-4-17-5-3-7/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyYEJCUEKMHFPSNB-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.08
Rot. Bonds3

About 5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid

5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid (PubChem CID 83824583) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid
PubChem CID83824583
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid
SMILESCOc1cnc(C2CCOCC2)nc1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-16-8-6-12-10(13-9(8)11(14)15)7-2-4-17-5-3-7/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyYEJCUEKMHFPSNB-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid (CID 83824583) is 5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid is COc1cnc(C2CCOCC2)nc1C(=O)O.
What is the InChIKey of 5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid?
The InChIKey is YEJCUEKMHFPSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-16-8-6-12-10(13-9(8)11(14)15)7-2-4-17-5-3-7/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid?
5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83824583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).