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180903-16-6 | 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(1,1-dimethylethyl)-3-phenyl-
CAS No: 180903-16-6 Catalog No: AG0022G0 MDL No:
Product Description
Catalog Number:
AG0022G0
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(1,1-dimethylethyl)-3-phenyl-
CAS Number:
180903-16-6
Molecular Formula:
C15H17N5
Molecular Weight:
267.3290
IUPAC Name:
1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C15H17N5/c1-15(2,3)20-14-11(13(16)17-9-18-14)12(19-20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,17,18)
InChI Key:
MVIHEGXCXLFEMC-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1c(nn2C(C)(C)C)c1ccccc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.148g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.336g/mol
Monoisotopic Mass:
267.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Development of Toxoplasma gondii calcium-dependent protein kinase 1 (TgCDPK1) inhibitors with potent anti-toxoplasma activity. | Journal of medicinal chemistry 20120308 |
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