Basic information
- CAS
13925-33-2- Standard SMILES
CC(=O)N1Cc2cncnc2C1- InChIKey
UCDDWBVLTFCBJN-UHFFFAOYSA-N- Molecular formula
- C8H9N3O
- Average molar mass
- 163.18 g/mol
- Monoisotopic mass
- 163.07456192
Names & identifiers
- Preferred name
- 1-(5,7-Dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)ethan-1-one
- IUPAC
- 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
- English name
- 5H-Pyrrolo[3,4-d]pyrimidine, 6-acetyl-6,7-dihydro- (8CI)
- Molecular formula
- C8H9N3O
- Molecular weight
- 163.17656
Names & synonyms
13925-33-21-(5,7-Dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)ethan-1-one5H-Pyrrolo[3,4-d]pyrimidine, 6-acetyl-6,7-dihydro- (8CI)1-{5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}ethan-1-one1-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethanoneNSC1258881-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanoneSCHEMBL22098106DTXSID80298766NSC-125888F6435-1780
Database identifiers
- CAS
13925-33-2- PubChem CID
- 277271
- DTXSID
DTXSID80298766
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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