Basic information
- Standard SMILES
CC(C)CN1Cc2nc(-c3ccc(NC(=O)NC4CC4)cc3)nc(N3CCOC[C@@H]3C)c2C1- InChIKey
OUJRHKHTYXGWBQ-KRWDZBQOSA-N- Molecular formula
- C25H34N6O2
- Average molar mass
- 450.6 g/mol
Names & identifiers
- Preferred name
- (S)-1-cyclopropyl-3-(4-(6-isobutyl-4-(3-methylmorpholino)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl)urea
- IUPAC
- 1-cyclopropyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]phenyl]urea
Names & synonyms
SCHEMBL413828OUJRHKHTYXGWBQ-KRWDZBQOSA-N(S)-1-cyclopropyl-3-(4-(6-isobutyl-4-(3-methylmorpholino)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl)urea
Database identifiers
- PubChem CID
- 46912975
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 665
Related reactions
1 records
Compound notes
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