Basic information
- Standard SMILES
Cc1nc(Cl)c(F)c(N2CCN3CCOC[C@@H]3C2)n1- InChIKey
PXFTYSXILYMPTC-VIFPVBQESA-N- Molecular formula
- C12H16ClFN4O
- Average molar mass
- 286.73 g/mol
Names & identifiers
- Preferred name
- 4-[(9aS)-octahydropyrazino[2,1-c][1,4]oxazin-8-yl]-6-chloro-5-fluoro-2-methylpyrimidine
- IUPAC
- (9aS)-8-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
Names & synonyms
1152110-18-34-[(9aS)-octahydropyrazino[2,1-c][1,4]oxazin-8-yl]-6-chloro-5-fluoro-2-methylpyrimidinePyrazino[2,1-c][1,4]oxazine, 8-(6-chloro-5-fluoro-2-methyl-4-pyrimidinyl)octahydro-, (9aS)-SCHEMBL1189476PXFTYSXILYMPTC-VIFPVBQESA-N(9aS)-8-(6-chloro-5-fluoro-2-methyl-4-pyrimidinyl)octa hydro pyrazino[2,1-c][1,4]oxazine(9aS)-8-(6-chloro-5-fluoro-2-methyl-4-pyrimidinyl)octahydropyrazino[2,1-c][1,4]oxazine(S)-8-(6-Chloro-5-fluoro-2-methylpyrimidin-4-yl)octahydropyrazino[2,1-c][1,4]oxazine
Database identifiers
- PubChem CID
- 86636929
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Related reactions
2 records
Compound notes
Loading…