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1268520-45-1

1268520-45-1 | 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(1,1-dimethylethyl)-

CAS No: 1268520-45-1 Catalog No: AG000TCO MDL No:

Product Description

Catalog Number:
AG000TCO
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(1,1-dimethylethyl)-
CAS Number:
1268520-45-1
Molecular Formula:
C9H13N5
Molecular Weight:
191.2330
IUPAC Name:
3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C9H13N5/c1-9(2,3)6-5-7(10)11-4-12-8(5)14-13-6/h4H,1-3H3,(H3,10,11,12,13,14)
InChI Key:
QEPKNUBQWQMCKR-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1c(n[nH]2)C(C)(C)C

Properties

Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.117g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.238g/mol
Monoisotopic Mass:
191.117g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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