Basic information
- Standard SMILES
CCOC(=O)c1cnc(N2CC3CNCC3C2)nc1- InChIKey
JJAKMKPBJCWWIK-UHFFFAOYSA-N- Molecular formula
- C13H18N4O2
- Average molar mass
- 262.31 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-ylpyrimidine-5-carboxylate
- IUPAC
- ethyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-5-carboxylate
Names & synonyms
SCHEMBL1013438JJAKMKPBJCWWIK-UHFFFAOYSA-NEthyl 2-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-ylpyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 59367682
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Related reactions
6 records
Compound notes
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