(S)-3-(2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)-1-methylpiperidin-3-ol

HCID 59605909
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Basic information

Standard SMILES
CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc([C@]3(O)CCCN(C)C3)n(C)c2n1
InChIKey
MSMINZQCHABLIO-SANMLTNESA-N
Molecular formula
C26H34N8O2
Average molar mass
490.6 g/mol
Monoisotopic mass
490.28047236

Names & identifiers

Preferred name
(S)-3-(2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)-1-methylpiperidin-3-ol
IUPAC
(3S)-1-methyl-3-[9-methyl-6-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-8-yl]piperidin-3-ol

Names & synonyms

SCHEMBL2674095MSMINZQCHABLIO-SANMLTNESA-N(S)-3-(2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)-1-methylpiperidin-3-ol

Database identifiers

PubChem CID
59605909

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
97.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
36

Related reactions

4 records
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Compound notes

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