(2S)-4-{4-[2-(2-Aminopyrimidin-5-yl)-9-isobutyl-6-morpholin-4-yl-9H-purin-8-yl]piperazin-1-yl}-4-oxobutan-2-ol

HCID 54754757
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)Cn1c(N2CCN(C(=O)C[C@H](C)O)CC2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21
InChIKey
JZBKKTYTQNAHOQ-KRWDZBQOSA-N
Molecular formula
C25H36N10O3
Average molar mass
524.6 g/mol
Monoisotopic mass
524.29718505

Names & identifiers

Preferred name
(2S)-4-{4-[2-(2-Aminopyrimidin-5-yl)-9-isobutyl-6-morpholin-4-yl-9H-purin-8-yl]piperazin-1-yl}-4-oxobutan-2-ol
IUPAC
(3S)-1-[4-[2-(2-aminopyrimidin-5-yl)-9-(2-methylpropyl)-6-morpholin-4-ylpurin-8-yl]piperazin-1-yl]-3-hydroxybutan-1-one

Names & synonyms

SCHEMBL336595JZBKKTYTQNAHOQ-KRWDZBQOSA-N(2S)-4-{4-[2-(2-Aminopyrimidin-5-yl)-9-isobutyl-6-morpholin-4-yl-9H-purin-8-yl]piperazin-1-yl}-4-oxobutan-2-ol

Database identifiers

PubChem CID
54754757

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
152 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
7
Heavy atoms
38

Related reactions

2 records
New reaction record

Linked notes

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