2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid

C11H12N4O2 — CID 83181858

IUPAC2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid
SMILESCCc1nccn1-c1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C11H12N4O2/c1-3-9-12-4-5-15(9)11-13-6-8(10(16)17)7(2)14-11/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyUIHAJUBZWHPMPK-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.23
Rot. Bonds3

About 2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid

2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181858) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181858
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid
SMILESCCc1nccn1-c1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C11H12N4O2/c1-3-9-12-4-5-15(9)11-13-6-8(10(16)17)7(2)14-11/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyUIHAJUBZWHPMPK-UHFFFAOYSA-N
XLogP1.23
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid (CID 83181858) is 2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid is CCc1nccn1-c1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is UIHAJUBZWHPMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-3-9-12-4-5-15(9)11-13-6-8(10(16)17)7(2)14-11/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid?
2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).