6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid

C10H10N4O2 — CID 168879393

IUPAC6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)nc(-n2ccnc2)n1
InChIInChI=1S/C10H10N4O2/c1-2-7-5-8(9(15)16)13-10(12-7)14-4-3-11-6-14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyAJALKTJWYUMKLO-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.92
Rot. Bonds3

About 6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid

6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid (PubChem CID 168879393) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid
PubChem CID168879393
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)nc(-n2ccnc2)n1
InChIInChI=1S/C10H10N4O2/c1-2-7-5-8(9(15)16)13-10(12-7)14-4-3-11-6-14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyAJALKTJWYUMKLO-UHFFFAOYSA-N
XLogP0.92
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-2-imidazol-1-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

Related Compounds

2,6-diethylpyrimidine-4-carboxylic acid
CID 83816909
3-ethyl-4-imidazol-1-ylbenzoic acid
CID 84681695
2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 82698690
2-imidazol-1-ylpyrimidine-4-carboxamide
CID 141444759
2-ethyl-5-imidazol-1-ylpyrazine
CID 59059029
2-ethoxy-6-ethylpyrimidine-4-carboxylic acid
CID 66933435
2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid
CID 112692736
1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid
CID 136740827
2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid
CID 157067318
2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide
CID 107550765
N-[2-(4-bromophenyl)ethyl]-2-(2-imidazol-1-yl-6-propylpyrimidin-4-yl)-2-piperidin-1-ylacetamide
CID 174354404
1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid
CID 71564138

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid (CID 168879393) is 6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid is CCc1cc(C(=O)O)nc(-n2ccnc2)n1.
What is the InChIKey of 6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid?
The InChIKey is AJALKTJWYUMKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-2-7-5-8(9(15)16)13-10(12-7)14-4-3-11-6-14/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of 6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid?
6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 168879393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).