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

C6H7N3O2 — CID 130166065

IUPAC3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
SMILESO=C1CC(=O)N2CCN=C2N1
InChIInChI=1S/C6H7N3O2/c10-4-3-5(11)9-2-1-7-6(9)8-4/h1-3H2,(H,7,8,10)
InChIKeyWBYGHZFXSVOWDC-UHFFFAOYSA-N
MW153.14 g/mol
LogP-1.30
Rot. Bonds

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

3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione (PubChem CID 130166065) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
PubChem CID130166065
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
SMILESO=C1CC(=O)N2CCN=C2N1
InChIInChI=1S/C6H7N3O2/c10-4-3-5(11)9-2-1-7-6(9)8-4/h1-3H2,(H,7,8,10)
InChIKeyWBYGHZFXSVOWDC-UHFFFAOYSA-N
XLogP-1.30
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-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

Related Compounds

Imidazo(1,2-a)pyrimidin-5(1H)-one, 2,3,6,7-tetrahydro-
CID 167264
1H,5H-Imidazo[1,2-a]pyrimidine, 2,3,6,7-tetrahydro-3-oxo-
CID 55288319
Imidazo(1,2-a)pyrimidin-7(1H)-one, 2,3,5,6-tetrahydro-
CID 152762
Imidazo(1,2-a)pyrimidin-7(1H)-one, 2,3,5,6-tetrahydro-6-methyl-
CID 152764
6-fluoro-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
CID 112639994
8-Methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one
CID 4191461
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
6,6-dimethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
CID 112639997
1,6,7,8-Tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
CID 126973088
3-Methyl-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
CID 130005636
8-Acetyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one
CID 133628974

Frequently Asked Questions

What is the IUPAC name of 3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
The IUPAC name of 3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione (CID 130166065) is 3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione.
What is the SMILES notation for 3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
The canonical SMILES for 3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione is O=C1CC(=O)N2CCN=C2N1.
What is the InChIKey of 3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
The InChIKey is WBYGHZFXSVOWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-4-3-5(11)9-2-1-7-6(9)8-4/h1-3H2,(H,7,8,10).
What are the key properties of 3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione has a molecular weight of 153.14 g/mol, XLogP of -1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione is sourced from PubChem (CID 130166065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).