3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid

C9H9N3O2 — CID 42647350

IUPAC3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid
SMILESO=C(O)CCc1cn2cccnc2n1
InChIInChI=1S/C9H9N3O2/c13-8(14)3-2-7-6-12-5-1-4-10-9(12)11-7/h1,4-6H,2-3H2,(H,13,14)
InChIKeyNJQSQSWSNPCGKB-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.75
Rot. Bonds3

About 3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid

3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid (PubChem CID 42647350) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid
PubChem CID42647350
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid
SMILESO=C(O)CCc1cn2cccnc2n1
InChIInChI=1S/C9H9N3O2/c13-8(14)3-2-7-6-12-5-1-4-10-9(12)11-7/h1,4-6H,2-3H2,(H,13,14)
InChIKeyNJQSQSWSNPCGKB-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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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid?
The IUPAC name of 3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid (CID 42647350) is 3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid.
What is the SMILES notation for 3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid?
The canonical SMILES for 3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid is O=C(O)CCc1cn2cccnc2n1.
What is the InChIKey of 3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid?
The InChIKey is NJQSQSWSNPCGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-8(14)3-2-7-6-12-5-1-4-10-9(12)11-7/h1,4-6H,2-3H2,(H,13,14).
What are the key properties of 3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid?
3-imidazo[1,2-a]pyrimidin-2-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[1,2-a]pyrimidin-2-ylpropanoic acid is sourced from PubChem (CID 42647350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).