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

C8H9N3O2 — CID 112639989

IUPACspiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclopropane]-5,7-dione
SMILESO=C1NC2=NCCN2C(=O)C12CC2
InChIInChI=1S/C8H9N3O2/c12-5-8(1-2-8)6(13)11-4-3-9-7(11)10-5/h1-4H2,(H,9,10,12)
InChIKeyUTJWCWJTCTXZIM-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.91
Rot. Bonds

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

spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclopropane]-5,7-dione (PubChem CID 112639989) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclopropane]-5,7-dione.

Molecular Properties

Compound Namespiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclopropane]-5,7-dione
PubChem CID112639989
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Namespiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclopropane]-5,7-dione
SMILESO=C1NC2=NCCN2C(=O)C12CC2
InChIInChI=1S/C8H9N3O2/c12-5-8(1-2-8)6(13)11-4-3-9-7(11)10-5/h1-4H2,(H,9,10,12)
InChIKeyUTJWCWJTCTXZIM-UHFFFAOYSA-N
XLogP-0.91
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.91
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'-cyclopropane]-5,7-dione with MolForge

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Related Compounds

6-Piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
CID 79501906
6-ethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
CID 112639971
6-propan-2-yl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
CID 112639980
spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclobutane]-5,7-dione
CID 112639982
6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
CID 112639986
6,6-dimethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
CID 112639997
6,6-diethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
CID 112640001
Spiro[1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-3,1'-cyclopropane]-2,4-dione
CID 112640034

Frequently Asked Questions

What is the IUPAC name of spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclopropane]-5,7-dione?
The IUPAC name of spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclopropane]-5,7-dione (CID 112639989) is spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclopropane]-5,7-dione.
What is the SMILES notation for spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclopropane]-5,7-dione?
The canonical SMILES for spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclopropane]-5,7-dione is O=C1NC2=NCCN2C(=O)C12CC2.
What is the InChIKey of spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclopropane]-5,7-dione?
The InChIKey is UTJWCWJTCTXZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-5-8(1-2-8)6(13)11-4-3-9-7(11)10-5/h1-4H2,(H,9,10,12).
What are the key properties of spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclopropane]-5,7-dione?
spiro[3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-6,1'-cyclopropane]-5,7-dione has a molecular weight of 179.18 g/mol, XLogP of -0.91, 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'-cyclopropane]-5,7-dione is sourced from PubChem (CID 112639989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).