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

C13H9N5O2 — CID 94075528

IUPAC1-(6-pyridin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cc(-c3ccccn3)ncn2)cn1
InChIInChI=1S/C13H9N5O2/c19-13(20)11-6-18(8-17-11)12-5-10(15-7-16-12)9-3-1-2-4-14-9/h1-8H,(H,19,20)
InChIKeyMPNMVFOUULTHCK-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.42
Rot. Bonds3

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

1-(6-pyridin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid (PubChem CID 94075528) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-(6-pyridin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-pyridin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid
PubChem CID94075528
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name1-(6-pyridin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cc(-c3ccccn3)ncn2)cn1
InChIInChI=1S/C13H9N5O2/c19-13(20)11-6-18(8-17-11)12-5-10(15-7-16-12)9-3-1-2-4-14-9/h1-8H,(H,19,20)
InChIKeyMPNMVFOUULTHCK-UHFFFAOYSA-N
XLogP1.42
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-pyridin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(6-pyridin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid (CID 94075528) is 1-(6-pyridin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(6-pyridin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(6-pyridin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid is O=C(O)c1cn(-c2cc(-c3ccccn3)ncn2)cn1.
What is the InChIKey of 1-(6-pyridin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
The InChIKey is MPNMVFOUULTHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2/c19-13(20)11-6-18(8-17-11)12-5-10(15-7-16-12)9-3-1-2-4-14-9/h1-8H,(H,19,20).
What are the key properties of 1-(6-pyridin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
1-(6-pyridin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyridin-2-ylpyrimidin-4-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 94075528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).