Basic information
- Standard SMILES
CC1c2nc[nH]c(=O)c2CCN1C(=O)OC(C)(C)C- InChIKey
JNDOTOWOJLQOKB-UHFFFAOYSA-N- Molecular formula
- C13H19N3O3
- Average molar mass
- 265.31 g/mol
Names & identifiers
- Preferred name
- 8-methyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
Names & synonyms
1229455-23-5SCHEMBL2496678SCHEMBL21807224JNDOTOWOJLQOKB-UHFFFAOYSA-NDB-160412tert-butyl 8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylateTert-butyl 8-methyl-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3h)-carboxylate8-methyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 136158780
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 474
Related reactions
6 records
Compound notes
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