7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid

C8H4N4O2 — CID 55267875

IUPAC7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESN#Cc1ccn2c(C(=O)O)cnc2n1
InChIInChI=1S/C8H4N4O2/c9-3-5-1-2-12-6(7(13)14)4-10-8(12)11-5/h1-2,4H,(H,13,14)
InChIKeyNNKZSDNFDKRHON-UHFFFAOYSA-N
MW188.15 g/mol
LogP0.30
Rot. Bonds1

About 7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid

7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 55267875) has the molecular formula C8H4N4O2 and a molecular weight of 188.15 g/mol. Its IUPAC name is 7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID55267875
Molecular FormulaC8H4N4O2
Molecular Weight188.15 g/mol
Exact Mass188.03
IUPAC Name7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESN#Cc1ccn2c(C(=O)O)cnc2n1
InChIInChI=1S/C8H4N4O2/c9-3-5-1-2-12-6(7(13)14)4-10-8(12)11-5/h1-2,4H,(H,13,14)
InChIKeyNNKZSDNFDKRHON-UHFFFAOYSA-N
XLogP0.30
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid (CID 55267875) is 7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid is N#Cc1ccn2c(C(=O)O)cnc2n1.
What is the InChIKey of 7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is NNKZSDNFDKRHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O2/c9-3-5-1-2-12-6(7(13)14)4-10-8(12)11-5/h1-2,4H,(H,13,14).
What are the key properties of 7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid?
7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 188.15 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 55267875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).