1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(2-methylbutan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

2.1.2 InChI

InChI=1S/C10H15N5/c1-4-10(2,3)14-8-7-5-13-15-9(7)12-6-11-8/h5-6H,4H2,1-3H3,(H2,11,12,13,14,15)

2.1.3 InChI Key

PRIVBFDRLYPHCX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(C)(C)NC1=NC=NC2=C1C=NN2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Zinc89222381

2. 1033425-59-0

3. N-(2-methylbutan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

2.3 Create Date

2014-08-06

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅N₅
Molecular Weight	205.26 g/mol
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	205.13274550 g/mol
Monoisotopic Mass	205.13274550 g/mol
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	218
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

CAS 1033425-59-0