(S)-4-(2-chloro-6-isopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
Basic information
- Standard SMILES
CC(C)N1Cc2nc(Cl)nc(N3CCOC[C@@H]3C)c2C1- InChIKey
BEUNKZOOZXBIFN-JTQLQIEISA-N- Molecular formula
- C14H21ClN4O
- Average molar mass
- 296.79 g/mol
- Monoisotopic mass
- 296.140389
Names & identifiers
- Preferred name
- (S)-4-(2-chloro-6-isopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
- IUPAC
- (3S)-4-(2-chloro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
Names & synonyms
SCHEMBL414064BEUNKZOOZXBIFN-JTQLQIEISA-N(S)-4-(2-chloro-6-isopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
Database identifiers
- PubChem CID
- 86663166
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
3 records
Compound notes
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