Basic information
- Standard SMILES
CC1c2c(nc[nH]c2=O)CN1C(=O)OC(C)(C)C- InChIKey
NJZBSGWXEXLOJH-UHFFFAOYSA-N- Molecular formula
- C12H17N3O3
- Average molar mass
- 251.28 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-4-oxo-3,4,5,7-tetrahydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 5-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
Names & synonyms
1229455-55-3SCHEMBL2797062NJZBSGWXEXLOJH-UHFFFAOYSA-NDB-160389Tert-butyl 5-methyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylatetert-butyl 5-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate(+/-)-5-methyl-4-oxo-3,4,5,7-tetrahydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester5-methyl-4-oxo-3,4,5,7-tetrahydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 136158783
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 460
Related reactions
12 records
Compound notes
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