2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid

C8H6N4O2 — CID 62250256

IUPAC2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ncccn2)[nH]1
InChIInChI=1S/C8H6N4O2/c13-8(14)5-4-11-7(12-5)6-9-2-1-3-10-6/h1-4H,(H,11,12)(H,13,14)
InChIKeyXRBJQSCWFPMKGB-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.56
Rot. Bonds2

About 2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid

2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid (PubChem CID 62250256) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid
PubChem CID62250256
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ncccn2)[nH]1
InChIInChI=1S/C8H6N4O2/c13-8(14)5-4-11-7(12-5)6-9-2-1-3-10-6/h1-4H,(H,11,12)(H,13,14)
InChIKeyXRBJQSCWFPMKGB-UHFFFAOYSA-N
XLogP0.56
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid (CID 62250256) is 2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(-c2ncccn2)[nH]1.
What is the InChIKey of 2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid?
The InChIKey is XRBJQSCWFPMKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c13-8(14)5-4-11-7(12-5)6-9-2-1-3-10-6/h1-4H,(H,11,12)(H,13,14).
What are the key properties of 2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid?
2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 62250256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).