Basic information
- Standard SMILES
CC1c2ncnc(Cl)c2CCN1C(=O)OC(C)(C)C- InChIKey
KTGMTIWZYVAETA-UHFFFAOYSA-N- Molecular formula
- C13H18ClN3O2
- Average molar mass
- 283.75 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-chloro-8-methyl-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate
- IUPAC
- tert-butyl 4-chloro-8-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
Names & synonyms
1229455-24-6tert-Butyl 4-chloro-8-methyl-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylatetert-butyl 4-chloro-8-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylateSCHEMBL2793266KTGMTIWZYVAETA-UHFFFAOYSA-NDB-160370(+/-)-4-Chloro-8-methyl-5,8-dihydro-6H-pyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester4-chloro-8-methyl-5,8-dihydro-6H-pyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59394669
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Related reactions
12 records
Linked notes
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