Basic information
- Standard SMILES
C[C@H]1COCCN1c1nc(Cl)nc2c1CN(C)C2- InChIKey
GIVUAFGQOLSNCN-QMMMGPOBSA-N- Molecular formula
- C12H17ClN4O
- Average molar mass
- 268.74 g/mol
Names & identifiers
- Preferred name
- (S)-4-(2-chloro-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
- IUPAC
- (3S)-4-(2-chloro-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
Names & synonyms
SCHEMBL412581GIVUAFGQOLSNCN-QMMMGPOBSA-N(S)-4-(2-chloro-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
Database identifiers
- PubChem CID
- 86663154
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
9 records
Compound notes
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