Propanamide,N-(6,9-dihydro-6-oxo-1H-purin-2-yl)-2-methyl- (21047-89-2)

The N-(6,7-Dihydro-6-oxo-1H-purin-2-yl)-2-methylpropanamide, with the CAS registry number 21047-89-2, is also known as Propanamide, N-(6,7-dihydro-6-oxo-1H-purin-2-yl)-2-methyl-. It belongs to the product category of Naphthyridine,Quinoline. This chemical's molecular formula is C₉H₁₁N₅O₂ and formula weight is 221.22. What's more, its systematic name is called 2-Methyl-N-(6-oxo-6,7-dihydro-3H-purin-2-yl)propanamide.

Physical properties about this chemical are: (1)ACD/LogP: -1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.45; (8)ACD/KOC (pH 7.4): 23.12; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 70.8 Å²; (13)Index of Refraction: 1.745; (14)Molar Refractivity: 55.52 cm³; (15)Molar Volume: 136.8 cm³; (16)Surface Tension: 64.1 dyne/cm; (17)Density: 1.61 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC/2=N/C(=O)c1c(ncn1)N\2)C(C)C
(2)InChI: InChI=1/C9H11N5O2/c1-4(2)7(15)13-9-12-6-5(8(16)14-9)10-3-11-6/h3-4H,1-2H3,(H3,10,11,12,13,14,15,16)
(3)InChIKey: CFIBTBBTJWHPQV-UHFFFAOYAB