Basic information
- Standard SMILES
CC(=O)N1CCN(c2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3n2CC2CC2)CC1- InChIKey
JWCLLAPQHLATNT-UHFFFAOYSA-N- Molecular formula
- C23H30N10O2
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.25532024
Names & identifiers
- Preferred name
- 5-[8-(4-Acetylpiperazin-1-yl)-9-(cyclopropylmethyl)-6-morpholin-4-yl-9H-purin-2-yl]pyrimidin-2-amine
- IUPAC
- 1-[4-[2-(2-aminopyrimidin-5-yl)-9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]piperazin-1-yl]ethanone
Names & synonyms
SCHEMBL336430JWCLLAPQHLATNT-UHFFFAOYSA-N5-[8-(4-Acetylpiperazin-1-yl)-9-(cyclopropylmethyl)-6-morpholin-4-yl-9H-purin-2-yl]pyrimidin-2-amine
Database identifiers
- PubChem CID
- 45376368
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 734
Related reactions
3 records
Compound notes
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