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Chemical structure of VS-5584 analog

GC48256

VS-5584 analog

Also known as 5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine

VS-5584 analog is a dimethyl analog of VS-5584 which is an potent and selective mTOR/PI3K dual inhibitor with pyrido [2,3-d] pyrimidine structure

ChemicalCAS1246535-95-4MW340.4FormulaC16H20N8O
CAS number
1246535-95-4
Molecular weight
340.4
Formula
C16H20N8O
Solubility
Chloroform： 0·5mg/mL
InChIKey
NGDDJJKHNGAOCH-UHFFFAOYSA-N
Catalogue number
GC48256
Brand
GLPBIO
Computed properties PubChem CID 70224122 · XLogP 0.4 · TPSA 108 Ų · H-bond donors 1
XLogP
0.4
TPSA
108 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
25

SMILES CC(C)N1C=NC2=C(N=C(N=C21)N3CCOCC3)C4=CN=C(N=C4)N

Computed descriptors from PubChem (CID 70224122), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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