5-(8-Chloro-9-isobutyl-6-morpholino-9H-purin-2-yl)pyrimidin-2-amine

HCID 59333549

Basic information

Standard SMILES
CC(C)Cn1c(Cl)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21
InChIKey
CSBSQWMQXKAAGI-UHFFFAOYSA-N
Molecular formula
C17H21ClN8O
Average molar mass
388.9 g/mol
Monoisotopic mass
388.152685

Names & identifiers

Preferred name
5-(8-Chloro-9-isobutyl-6-morpholino-9H-purin-2-yl)pyrimidin-2-amine
IUPAC
5-[8-chloro-9-(2-methylpropyl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine

Names & synonyms

5-(8-Chloro-9-isobutyl-6-morpholino-9H-purin-2-yl)pyrimidin-2-amine1222105-30-7SCHEMBL336657CSBSQWMQXKAAGI-UHFFFAOYSA-N5-(8-chloro-9-isobutyl-6-morpholin-4-yl-9H-purin-2-yl)pyrimidin-2-amine

Database identifiers

PubChem CID
59333549

Properties

Computed structural properties

XLogP
2
Topological polar surface area
108 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
27

Related reactions

12 records

Linked notes

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