1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid

C13H19N3O3 — CID 66325534

IUPAC1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCOc1ncnc(N2CC(C)C(C(=O)O)C2)c1C
InChIInChI=1S/C13H19N3O3/c1-4-19-12-9(3)11(14-7-15-12)16-5-8(2)10(6-16)13(17)18/h7-8,10H,4-6H2,1-3H3,(H,17,18)
InChIKeyJUQXFZKYGUASCM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.34
Rot. Bonds4

About 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid

1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 66325534) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID66325534
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCOc1ncnc(N2CC(C)C(C(=O)O)C2)c1C
InChIInChI=1S/C13H19N3O3/c1-4-19-12-9(3)11(14-7-15-12)16-5-8(2)10(6-16)13(17)18/h7-8,10H,4-6H2,1-3H3,(H,17,18)
InChIKeyJUQXFZKYGUASCM-UHFFFAOYSA-N
XLogP1.34
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-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 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid (CID 66325534) is 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid is CCOc1ncnc(N2CC(C)C(C(=O)O)C2)c1C.
What is the InChIKey of 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is JUQXFZKYGUASCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-19-12-9(3)11(14-7-15-12)16-5-8(2)10(6-16)13(17)18/h7-8,10H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66325534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).