3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione

C7H7N3O3 — CID 130005636

IUPAC3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
SMILESCC1C(=O)N=C2NC(=O)CC(=O)N21
InChIInChI=1S/C7H7N3O3/c1-3-6(13)9-7-8-4(11)2-5(12)10(3)7/h3H,2H2,1H3,(H,8,9,11,13)
InChIKeyAGBIXZNZOCPIPI-UHFFFAOYSA-N
MW181.15 g/mol
LogP-1.38
Rot. Bonds

About 3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione

3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione (PubChem CID 130005636) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is 3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione.

Molecular Properties

Compound Name3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
PubChem CID130005636
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
SMILESCC1C(=O)N=C2NC(=O)CC(=O)N21
InChIInChI=1S/C7H7N3O3/c1-3-6(13)9-7-8-4(11)2-5(12)10(3)7/h3H,2H2,1H3,(H,8,9,11,13)
InChIKeyAGBIXZNZOCPIPI-UHFFFAOYSA-N
XLogP-1.38
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione 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 3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
The IUPAC name of 3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione (CID 130005636) is 3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione.
What is the SMILES notation for 3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
The canonical SMILES for 3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione is CC1C(=O)N=C2NC(=O)CC(=O)N21.
What is the InChIKey of 3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
The InChIKey is AGBIXZNZOCPIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c1-3-6(13)9-7-8-4(11)2-5(12)10(3)7/h3H,2H2,1H3,(H,8,9,11,13).
What are the key properties of 3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione has a molecular weight of 181.15 g/mol, XLogP of -1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione is sourced from PubChem (CID 130005636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).