spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione

C9H11N3O2 — CID 112639982

IUPACspiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione
SMILESO=C1NC2=NCCN2C(=O)C12CCC2
InChIInChI=1S/C9H11N3O2/c13-6-9(2-1-3-9)7(14)12-5-4-10-8(12)11-6/h1-5H2,(H,10,11,13)
InChIKeyQBRJBNSKHBVKLP-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.52
Rot. Bonds

About spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione

spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione (PubChem CID 112639982) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione.

Molecular Properties

Compound Namespiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione
PubChem CID112639982
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Namespiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione
SMILESO=C1NC2=NCCN2C(=O)C12CCC2
InChIInChI=1S/C9H11N3O2/c13-6-9(2-1-3-9)7(14)12-5-4-10-8(12)11-6/h1-5H2,(H,10,11,13)
InChIKeyQBRJBNSKHBVKLP-UHFFFAOYSA-N
XLogP-0.52
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione?
The IUPAC name of spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione (CID 112639982) is spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione.
What is the SMILES notation for spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione?
The canonical SMILES for spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione is O=C1NC2=NCCN2C(=O)C12CCC2.
What is the InChIKey of spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione?
The InChIKey is QBRJBNSKHBVKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-6-9(2-1-3-9)7(14)12-5-4-10-8(12)11-6/h1-5H2,(H,10,11,13).
What are the key properties of spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione?
spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione has a molecular weight of 193.21 g/mol, XLogP of -0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione is sourced from PubChem (CID 112639982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).