1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid

C9H8N4O2 — CID 63343046

IUPAC1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid
SMILESCc1nccc(-n2cnc(C(=O)O)c2)n1
InChIInChI=1S/C9H8N4O2/c1-6-10-3-2-8(12-6)13-4-7(9(14)15)11-5-13/h2-5H,1H3,(H,14,15)
InChIKeyOWWHYQGCQZJNOP-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.67
Rot. Bonds2

About 1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid

1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid (PubChem CID 63343046) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid
PubChem CID63343046
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid
SMILESCc1nccc(-n2cnc(C(=O)O)c2)n1
InChIInChI=1S/C9H8N4O2/c1-6-10-3-2-8(12-6)13-4-7(9(14)15)11-5-13/h2-5H,1H3,(H,14,15)
InChIKeyOWWHYQGCQZJNOP-UHFFFAOYSA-N
XLogP0.67
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid (CID 63343046) is 1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid is Cc1nccc(-n2cnc(C(=O)O)c2)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid?
The InChIKey is OWWHYQGCQZJNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-6-10-3-2-8(12-6)13-4-7(9(14)15)11-5-13/h2-5H,1H3,(H,14,15).
What are the key properties of 1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid?
1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 63343046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).