2-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one


Chemical Name: 2-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CAS Number: 900185-01-5
Product Number: AG00GY9R(AGN-PC-09OD9S)
Synonyms:
MDL No:
Molecular Formula: C22H19N7O
Molecular Weight: 397.4326

Identification/Properties


Computed Properties
Molecular Weight:
397.442g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
397.165g/mol
Monoisotopic Mass:
397.165g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
684
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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Chemical Structure



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