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1246560-33-7 | 2-Pyrimidinamine, 5-[8-methyl-9-(1-methylethyl)-2-(4-morpholinyl)-9H-purin-6-yl]-
CAS No: 1246560-33-7 Catalog No: AG000MK4 MDL No:MFCD25372027
Product Description
Catalog Number:
AG000MK4
Chemical Name:
2-Pyrimidinamine, 5-[8-methyl-9-(1-methylethyl)-2-(4-morpholinyl)-9H-purin-6-yl]-
CAS Number:
1246560-33-7
Molecular Formula:
C17H22N8O
Molecular Weight:
354.4096
MDL Number:
MFCD25372027
IUPAC Name:
5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
InChI:
InChI=1S/C17H22N8O/c1-10(2)25-11(3)21-14-13(12-8-19-16(18)20-9-12)22-17(23-15(14)25)24-4-6-26-7-5-24/h8-10H,4-7H2,1-3H3,(H2,18,19,20)
InChI Key:
QYBGBLQCOOISAR-UHFFFAOYSA-N
SMILES:
Nc1ncc(cn1)c1nc(nc2c1nc(n2C(C)C)C)N1CCOCC1
UNII:
W71J4X250V
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.192g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.418g/mol
Monoisotopic Mass:
354.192g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| VS-5584, a novel and highly selective PI3K/mTOR kinase inhibitor for the treatment of cancer. | Molecular cancer therapeutics 20130201 |
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