5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid

C12H16N2O3 — CID 62116822

IUPAC5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(OC2CCC2)c(C(=O)O)n1
InChIInChI=1S/C12H16N2O3/c1-7(2)11-13-6-9(10(14-11)12(15)16)17-8-4-3-5-8/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyNFEHJNHIFHFLDO-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.23
Rot. Bonds4

About 5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid

5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62116822) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62116822
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(OC2CCC2)c(C(=O)O)n1
InChIInChI=1S/C12H16N2O3/c1-7(2)11-13-6-9(10(14-11)12(15)16)17-8-4-3-5-8/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyNFEHJNHIFHFLDO-UHFFFAOYSA-N
XLogP2.23
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62116822) is 5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(OC2CCC2)c(C(=O)O)n1.
What is the InChIKey of 5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is NFEHJNHIFHFLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(2)11-13-6-9(10(14-11)12(15)16)17-8-4-3-5-8/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62116822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).