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

C9H11N3O3 — CID 98085843

IUPAC(3S,6R)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
SMILESCC[C@@H]1C(=O)N=C2NC(=O)[C@H](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)/t4-,5+/m0/s1
InChIKeyOZRJBLHNKBNKLH-CRCLSJGQSA-N
MW209.20 g/mol
LogP-0.74
Rot. Bonds1

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

(3S,6R)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione (PubChem CID 98085843) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is (3S,6R)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione.

Molecular Properties

Compound Name(3S,6R)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
PubChem CID98085843
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name(3S,6R)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
SMILESCC[C@@H]1C(=O)N=C2NC(=O)[C@H](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)/t4-,5+/m0/s1
InChIKeyOZRJBLHNKBNKLH-CRCLSJGQSA-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 (3S,6R)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
The IUPAC name of (3S,6R)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione (CID 98085843) is (3S,6R)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione.
What is the SMILES notation for (3S,6R)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
The canonical SMILES for (3S,6R)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione is CC[C@@H]1C(=O)N=C2NC(=O)[C@H](C)N2C1=O.
What is the InChIKey of (3S,6R)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
The InChIKey is OZRJBLHNKBNKLH-CRCLSJGQSA-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)/t4-,5+/m0/s1.
What are the key properties of (3S,6R)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione?
(3S,6R)-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 (3S,6R)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione is sourced from PubChem (CID 98085843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).