4-Amino-1-tert-butyl-3-(3-methylbenzyl)pyrazolo[3,4-d]pyrimidine

The CAS register number of 1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(1,1-dimethylethyl)-3-[(3-methylphenyl)methyl]- is 956025-83-5. It also can be called as 4-Amino-1-tert-butyl-3-(3-methylbenzyl)pyrazolo[3,4-d]pyrimidine and the systematic name about this chemical is 1-tert-butyl-3-(m-tolylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine. The molecular formula about this chemical is C₁₇H₂₁N₅ and the molecular weight is 295.38. It belongs to the following product categories which include Heterocyclic Compounds; Bases & Related Reagent; Heterocycles; Nucleotides; Protein Kinase Inhibitors and Activators and so on.

Physical properties about 1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(1,1-dimethylethyl)-3-[(3-methylphenyl)methyl]- are: (1)ACD/LogP: 3.42; (2)ACD/LogD (pH 5.5): 3.347; (3)ACD/LogD (pH 7.4): 3.422; (4)ACD/BCF (pH 5.5): 197.553; (5)ACD/BCF (pH 7.4): 234.539; (6)ACD/KOC (pH 5.5): 1456.734; (7)ACD/KOC (pH 7.4): 1729.463; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 69.62 Å²; (12)Index of Refraction: 1.64; (13)Molar Refractivity: 88.07 cm³; (14)Molar Volume: 244.327 cm³; (15)Polarizability: 34.914x10^-24cm³; (16)Surface Tension: 44.69 dyne/cm; (17)Density: 1.209 g/cm³; (18)Flash Point: 241.356 °C; (19)Enthalpy of Vaporization: 73.9 kJ/mol; (20)Boiling Point: 475.471 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N
(2)InChI: InChI=1/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)
(3)InChIKey: FYCOTGCSHZKHPR-UHFFFAOYAE
(4)Std. 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)
(5)Std. InChIKey: FYCOTGCSHZKHPR-UHFFFAOYSA-N