4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid

C11H12N2O3 — CID 118401654

IUPAC4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid
SMILESC=Cc1ncnc(OC2CCC2)c1C(=O)O
InChIInChI=1S/C11H12N2O3/c1-2-8-9(11(14)15)10(13-6-12-8)16-7-4-3-5-7/h2,6-7H,1,3-5H2,(H,14,15)
InChIKeyPEZZPUOLKGYNFD-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.75
Rot. Bonds4

About 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid

4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid (PubChem CID 118401654) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid
PubChem CID118401654
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid
SMILESC=Cc1ncnc(OC2CCC2)c1C(=O)O
InChIInChI=1S/C11H12N2O3/c1-2-8-9(11(14)15)10(13-6-12-8)16-7-4-3-5-7/h2,6-7H,1,3-5H2,(H,14,15)
InChIKeyPEZZPUOLKGYNFD-UHFFFAOYSA-N
XLogP1.75
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid (CID 118401654) is 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid is C=Cc1ncnc(OC2CCC2)c1C(=O)O.
What is the InChIKey of 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid?
The InChIKey is PEZZPUOLKGYNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-8-9(11(14)15)10(13-6-12-8)16-7-4-3-5-7/h2,6-7H,1,3-5H2,(H,14,15).
What are the key properties of 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid?
4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 118401654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).