2-[2-hydroxyethyl-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]ethanol


Chemical Name: 2-[2-hydroxyethyl-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]ethanol
CAS Number: 199986-75-9
Product Number: AG002CHT(AGN-PC-0LVEWL)
Synonyms:
MDL No: MFCD06411412
Molecular Formula: C20H28N6O3
Molecular Weight: 400.4747

Identification/Properties


Computed Properties
Molecular Weight:
400.483g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
10
Exact Mass:
400.222g/mol
Monoisotopic Mass:
400.222g/mol
Topological Polar Surface Area:
109A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
471
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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