1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid

C13H10N6O2 — CID 56767631

IUPAC1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid
SMILESCc1cc(-n2cnc(C(=O)O)c2)nc(-c2cnccn2)n1
InChIInChI=1S/C13H10N6O2/c1-8-4-11(19-6-10(13(20)21)16-7-19)18-12(17-8)9-5-14-2-3-15-9/h2-7H,1H3,(H,20,21)
InChIKeyKUZUNPMMAHXAII-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.13
Rot. Bonds3

About 1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid

1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid (PubChem CID 56767631) has the molecular formula C13H10N6O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid
PubChem CID56767631
Molecular FormulaC13H10N6O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid
SMILESCc1cc(-n2cnc(C(=O)O)c2)nc(-c2cnccn2)n1
InChIInChI=1S/C13H10N6O2/c1-8-4-11(19-6-10(13(20)21)16-7-19)18-12(17-8)9-5-14-2-3-15-9/h2-7H,1H3,(H,20,21)
InChIKeyKUZUNPMMAHXAII-UHFFFAOYSA-N
XLogP1.13
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid (CID 56767631) is 1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid is Cc1cc(-n2cnc(C(=O)O)c2)nc(-c2cnccn2)n1.
What is the InChIKey of 1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
The InChIKey is KUZUNPMMAHXAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O2/c1-8-4-11(19-6-10(13(20)21)16-7-19)18-12(17-8)9-5-14-2-3-15-9/h2-7H,1H3,(H,20,21).
What are the key properties of 1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 56767631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).