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

C10H15N3O2 — CID 112640001

IUPAC6,6-diethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
SMILESCCC1(CC)C(=O)NC2=NCCN2C1=O
InChIInChI=1S/C10H15N3O2/c1-3-10(4-2)7(14)12-9-11-5-6-13(9)8(10)15/h3-6H2,1-2H3,(H,11,12,14)
InChIKeyIQAJDLWBUOHSCA-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.12
Rot. Bonds2

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

6,6-diethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione (PubChem CID 112640001) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6,6-diethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6,6-diethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
PubChem CID112640001
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6,6-diethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
SMILESCCC1(CC)C(=O)NC2=NCCN2C1=O
InChIInChI=1S/C10H15N3O2/c1-3-10(4-2)7(14)12-9-11-5-6-13(9)8(10)15/h3-6H2,1-2H3,(H,11,12,14)
InChIKeyIQAJDLWBUOHSCA-UHFFFAOYSA-N
XLogP0.12
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.12
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 6,6-diethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
The IUPAC name of 6,6-diethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione (CID 112640001) is 6,6-diethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione.
What is the SMILES notation for 6,6-diethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
The canonical SMILES for 6,6-diethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione is CCC1(CC)C(=O)NC2=NCCN2C1=O.
What is the InChIKey of 6,6-diethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
The InChIKey is IQAJDLWBUOHSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-10(4-2)7(14)12-9-11-5-6-13(9)8(10)15/h3-6H2,1-2H3,(H,11,12,14).
What are the key properties of 6,6-diethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
6,6-diethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione has a molecular weight of 209.25 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione is sourced from PubChem (CID 112640001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).