3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid

C7H9N3O2 — CID 90942396

IUPAC3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1C=NC2N=CCN2C1
InChIInChI=1S/C7H9N3O2/c11-6(12)5-3-9-7-8-1-2-10(7)4-5/h1,3,5,7H,2,4H2,(H,11,12)
InChIKeyFFEAWRJVDFCROB-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.56
Rot. Bonds1

About 3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid

3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 90942396) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID90942396
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1C=NC2N=CCN2C1
InChIInChI=1S/C7H9N3O2/c11-6(12)5-3-9-7-8-1-2-10(7)4-5/h1,3,5,7H,2,4H2,(H,11,12)
InChIKeyFFEAWRJVDFCROB-UHFFFAOYSA-N
XLogP-0.56
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid (CID 90942396) is 3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid is O=C(O)C1C=NC2N=CCN2C1.
What is the InChIKey of 3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is FFEAWRJVDFCROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-6(12)5-3-9-7-8-1-2-10(7)4-5/h1,3,5,7H,2,4H2,(H,11,12).
What are the key properties of 3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid?
3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,8a-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 90942396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).