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CAT: 0926-FA17425-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FA17425-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
172889-26-8
Synonyms
1- (1,1-Dimethylethyl) -3- (4-methylphenyl) -1H-pyrazolo[3,4-d]pyrimidin-4-amine; AGL 1872;4-Amino-1-tert-butyl-3- (4-methylphenyl) pyrazol o[3,4-d]pyrimidin
MDL Number
MFCD01076570
Smiles
CC1=CC=C (C=C1) C2=NN (C3=NC=NC (=C23) N) C (C) (C) C
Molecular Formula
C16H19N5
Molecular Weight
281.36 g/mol
Controlled
No

Chemical Information

1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CAS Number172889-26-8
PubChem CID1400
IUPAC Name1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Molecular FormulaC16H19N5
Molecular Weight281.36
XLogP2.8
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity358
SMILES
CC1=CC=C(C=C1)C2=NN(C3=NC=NC(=C23)N)C(C)(C)C
InChI
InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
InChIKey
ZVPDNRVYHLRXLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CAS: 172889-26-8
CID: 1400
Formula: C16H19N5
MW: 281.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.36
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass281.16404563
Monoisotopic Mass281.16404563
Topological Polar Surface Area69.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity358
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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