Basic information
- Standard SMILES
CC(C)Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21- InChIKey
QFTZCAHXJDGMTG-INIZCTEOSA-N- Molecular formula
- C23H34N10O3S
- Average molar mass
- 530.6 g/mol
- Monoisotopic mass
- 530.25360616
Names & identifiers
- Preferred name
- 5-{9-Isobutyl-8-[(3S)-3-methyl-4-(methylsulfonyl)piperazin-1-yl]-6-morpholin-4-yl-9H-purin-2-yl}pyrimidin-2-amine
- IUPAC
- 5-[8-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-9-(2-methylpropyl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine
Names & synonyms
SCHEMBL336754QFTZCAHXJDGMTG-INIZCTEOSA-N5-{9-Isobutyl-8-[(3S)-3-methyl-4-(methylsulfonyl)piperazin-1-yl]-6-morpholin-4-yl-9H-purin-2-yl}pyrimidin-2-amine
Database identifiers
- PubChem CID
- 45378015
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 861
Related reactions
2 records
Compound notes
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