2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid

C11H14N2O3 — CID 165448542

IUPAC2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(COC2CCC2)ncc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7-9(11(14)15)5-12-10(13-7)6-16-8-3-2-4-8/h5,8H,2-4,6H2,1H3,(H,14,15)
InChIKeyVATWKNGQCDQRNN-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.55
Rot. Bonds4

About 2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid

2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 165448542) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid
PubChem CID165448542
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(COC2CCC2)ncc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-7-9(11(14)15)5-12-10(13-7)6-16-8-3-2-4-8/h5,8H,2-4,6H2,1H3,(H,14,15)
InChIKeyVATWKNGQCDQRNN-UHFFFAOYSA-N
XLogP1.55
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid (CID 165448542) is 2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid is Cc1nc(COC2CCC2)ncc1C(=O)O.
What is the InChIKey of 2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is VATWKNGQCDQRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-9(11(14)15)5-12-10(13-7)6-16-8-3-2-4-8/h5,8H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid?
2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 165448542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).