Basic information
- Standard SMILES
C[C@H]1COCCN1c1nc(Cl)nc2c1CN(CC1CC1)C2- InChIKey
INDPXNWRYFMROD-JTQLQIEISA-N- Molecular formula
- C15H21ClN4O
- Average molar mass
- 308.8 g/mol
Names & identifiers
- Preferred name
- (S)-4-(2-chloro-6-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
- IUPAC
- (3S)-4-[2-chloro-6-(cyclopropylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-methylmorpholine
Names & synonyms
SCHEMBL413801INDPXNWRYFMROD-JTQLQIEISA-N(S)-4-(2-chloro-6-(cyclopropylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
Database identifiers
- PubChem CID
- 86663153
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Related reactions
6 records
Compound notes
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