1-Acetyl-3,3-diethyl-8a-methylimidazo[1,5-a]pyrimidine-2,4,6,8-tetrone
Basic information
- CAS
81587-29-3- Standard SMILES
CCC1(CC)C(=O)N(C(C)=O)C2(C)C(=O)NC(=O)N2C1=O- InChIKey
XXSHHZOEBZURHS-UHFFFAOYSA-N- Molecular formula
- C13H17N3O5
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.11682065
Names & identifiers
- Preferred name
- 1-Acetyl-3,3-diethyl-8a-methylimidazo[1,5-a]pyrimidine-2,4,6,8-tetrone
- IUPAC
- 1-acetyl-3,3-diethyl-8a-methylimidazo[1,5-a]pyrimidine-2,4,6,8-tetrone
- English name
- 5-acetyl-3,3-diethyl-6-methyl-1,5,8-triazabicyclo[4.3.0]nonane-2,4,7,9 -tetrone
- Molecular formula
- C13H17N3O5
- Molecular weight
- 0
Names & synonyms
81587-29-31-acetyl-3,3-diethyl-8a-methylimidazo[1,5-a]pyrimidine-2,4,6,8-tetroneNSC360518DTXSID80320511NSC-3605181-Acetyl-3,3-diethyl-8a-methyldihydroimidazo[1,5-a]pyrimidine-2,4,6,8(3H,7H)-tetrone5-acetyl-3,3-diethyl-6-methyl-1,5,8-triazabicyclo[4.3.0]nonane-2,4,7,9 -tetrone
Database identifiers
- CAS
81587-29-3- PubChem CID
- 338401
- DTXSID
DTXSID80320511
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 580
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Related reactions
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Compound notes
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