3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid

C9H9N3O2 — CID 105444751

IUPAC3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid
SMILESO=C(O)CCc1ncc2ncccn12
InChIInChI=1S/C9H9N3O2/c13-9(14)3-2-7-11-6-8-10-4-1-5-12(7)8/h1,4-6H,2-3H2,(H,13,14)
InChIKeyGNDQHDKLARBBPB-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.75
Rot. Bonds3

About 3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid

3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid (PubChem CID 105444751) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid.

Molecular Properties

Compound Name3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid
PubChem CID105444751
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid
SMILESO=C(O)CCc1ncc2ncccn12
InChIInChI=1S/C9H9N3O2/c13-9(14)3-2-7-11-6-8-10-4-1-5-12(7)8/h1,4-6H,2-3H2,(H,13,14)
InChIKeyGNDQHDKLARBBPB-UHFFFAOYSA-N
XLogP0.75
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazo[1,5-a]pyrimidin-6-ylethanamine
CID 105431897
3-(2-carboxyethyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 84741033
3-[1-(2,6-dimethylphenyl)imidazol-2-yl]propanoic acid
CID 82294272
imidazo[1,5-a]pyrimidin-6-amine
CID 69460100
3-(1-tert-butylimidazol-2-yl)propanoic acid
CID 83879918
6-(piperidin-2-ylmethyl)imidazo[1,5-a]pyrimidine
CID 105470149
6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine
CID 175672783
3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117255094
6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine
CID 105470150
3-[4-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)phenyl]propanoic acid
CID 122563846
8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744413
3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255108

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid?
The IUPAC name of 3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid (CID 105444751) is 3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid.
What is the SMILES notation for 3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid?
The canonical SMILES for 3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid is O=C(O)CCc1ncc2ncccn12.
What is the InChIKey of 3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid?
The InChIKey is GNDQHDKLARBBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-9(14)3-2-7-11-6-8-10-4-1-5-12(7)8/h1,4-6H,2-3H2,(H,13,14).
What are the key properties of 3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid?
3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid has a molecular weight of 191.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,5-a]pyrimidin-6-ylpropanoic acid is sourced from PubChem (CID 105444751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).