N-cyclopentyl-9-methyl-9H-purin-6-amine

The 9H-Purin-6-amine,N-cyclopentyl-9-methyl-, with the CAS registry number 109292-91-3, is also known as Cyclopentyl-(9-methyl-9H-purin-6-yl)-amine. This chemical's molecular formula is C₁₁H₁₅N₅ and molecular weight is 217.27. What's more, its systematic name is N-Cyclopentyl-9-methyl-9H-purin-6-amine.

Physical properties of 9H-Purin-6-amine,N-cyclopentyl-9-methyl- are: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.57; (8)ACD/KOC (pH 7.4): 32.57; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.84 Å²; (13)Index of Refraction: 1.738; (14)Molar Refractivity: 61.57 cm³; (15)Molar Volume: 152.9 cm³; (16)Polarizability: 24.41×10^-24 cm³; (17)Surface Tension: 57 dyne/cm; (18)Density: 1.42 g/cm³; (19)Flash Point: 212 °C; (20)Enthalpy of Vaporization: 68.18 kJ/mol; (21)Boiling Point: 426.9 °C at 760 mmHg; (22)Vapour Pressure: 1.71E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-chloro-9-methyl-9H-purine and cyclopentylamine by heating. This reaction will need reagent N,N-diisopropylethylamine and solvent ethanol. The yield is about 65%.

Uses of 9H-Purin-6-amine,N-cyclopentyl-9-methyl-: it can be used to produce 8-bromo-9-methyl-9H-purin-6-ylamine at PH=7. It will need reagents bromine, Na₂HPO₄ and solvents H₂O, dioxane. The yield is about 46%.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c1c(ncn1C)c(nc2)NC3CCCC3
(2)InChI: InChI=1S/C11H15N5/c1-16-7-14-9-10(12-6-13-11(9)16)15-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,12,13,15)
(3)InChIKey: LZMRVYPPUVMKOI-UHFFFAOYSA-N