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1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

CAS: 956025-83-5

Formula: C17H21N5

SMILES: CC1=CC(CC2=NN(C3=NC=NC(N)=C23)C(C)(C)C)=CC=C1

IUPAC: 1-tert-butyl-3-[(3-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

InChI: InChI=1S/C17H21N5/c1-11-6-5-7-12(8-11)9-13-14-15(18)19-10-20-16(14)22(21-13)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19,20)

Composition: C (69.12%), H (7.17%), N (23.71%)

Molar Mass: 295.39

Atom Count: 43

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 295.179695696
Formal Charge 0
FSP3 0.35
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FYCOTGCSHZKHPR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.08
Topological Polar Surface Area 69.62
Polarizability 33.74
Ring Count 3
Rotatable Bond Count 3

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