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

C9H11N3O3 — CID 45094908

IUPAC6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
SMILESCCC1C(=O)N=C2NC(=O)C(C)N2C1=O
InChIInChI=1S/C9H11N3O3/c1-3-5-7(14)11-9-10-6(13)4(2)12(9)8(5)15/h4-5H,3H2,1-2H3,(H,10,11,13,14)
InChIKeyOZRJBLHNKBNKLH-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.74
Rot. Bonds1

About 6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione

6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione (PubChem CID 45094908) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione.

Molecular Properties

Compound Name6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
PubChem CID45094908
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
SMILESCCC1C(=O)N=C2NC(=O)C(C)N2C1=O
InChIInChI=1S/C9H11N3O3/c1-3-5-7(14)11-9-10-6(13)4(2)12(9)8(5)15/h4-5H,3H2,1-2H3,(H,10,11,13,14)
InChIKeyOZRJBLHNKBNKLH-UHFFFAOYSA-N
XLogP-0.74
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
The IUPAC name of 6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione (CID 45094908) is 6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione.
What is the SMILES notation for 6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
The canonical SMILES for 6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione is CCC1C(=O)N=C2NC(=O)C(C)N2C1=O.
What is the InChIKey of 6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
The InChIKey is OZRJBLHNKBNKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-3-5-7(14)11-9-10-6(13)4(2)12(9)8(5)15/h4-5H,3H2,1-2H3,(H,10,11,13,14).
What are the key properties of 6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione has a molecular weight of 209.20 g/mol, XLogP of -0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione is sourced from PubChem (CID 45094908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).