1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid

C10H10N4O3 — CID 136740827

IUPAC1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid
SMILESCCc1cc(=O)[nH]c(-n2cnc(C(=O)O)c2)n1
InChIInChI=1S/C10H10N4O3/c1-2-6-3-8(15)13-10(12-6)14-4-7(9(16)17)11-5-14/h3-5H,2H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyORGCASZCUGCYPB-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.22
Rot. Bonds3

About 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid

1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid (PubChem CID 136740827) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid
PubChem CID136740827
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid
SMILESCCc1cc(=O)[nH]c(-n2cnc(C(=O)O)c2)n1
InChIInChI=1S/C10H10N4O3/c1-2-6-3-8(15)13-10(12-6)14-4-7(9(16)17)11-5-14/h3-5H,2H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyORGCASZCUGCYPB-UHFFFAOYSA-N
XLogP0.22
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid (CID 136740827) is 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid is CCc1cc(=O)[nH]c(-n2cnc(C(=O)O)c2)n1.
What is the InChIKey of 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid?
The InChIKey is ORGCASZCUGCYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-2-6-3-8(15)13-10(12-6)14-4-7(9(16)17)11-5-14/h3-5H,2H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid?
1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid has a molecular weight of 234.22 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 136740827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).