8H-Pyrazino[1,2-a]pyrimidine-8-carboxylic acid, 2-(2-aminoethyl)-4,6,7,9-tetrahydro-4-oxo-, 1,1-dimethylethyl ester
Basic information
- CAS
1330763-79-5- Standard SMILES
CC(C)(C)OC(=O)N1CCn2c(nc(CCN)cc2=O)C1- InChIKey
CZXBNTUUHUVFII-UHFFFAOYSA-N- Molecular formula
- C14H22N4O3
- Average molar mass
- 294.35 g/mol
- Monoisotopic mass
- 294.16919058
Names & identifiers
- Preferred name
- 8H-Pyrazino[1,2-a]pyrimidine-8-carboxylic acid, 2-(2-aminoethyl)-4,6,7,9-tetrahydro-4-oxo-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 2-(2-aminoethyl)-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-8-carboxylate
Names & synonyms
DTXSID9011065991330763-79-58H-Pyrazino[1,2-a]pyrimidine-8-carboxylic acid, 2-(2-aminoethyl)-4,6,7,9-tetrahydro-4-oxo-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1330763-79-5- PubChem CID
- 165367236
- DTXSID
DTXSID901106599
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 505
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