Furo[2,3-d]pyrimidin-4-amine (186454-70-6)

The 4-Aminofuro[2,3-d]pyrimidine with the CAS number 186454-70-6 is also called Furo[2,3-d]pyrimidin-4-amine. Its molecular formula is C₆H₅N₃O. The product category is Pyrimidine. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 4-Aminofuro[2,3-d]pyrimidine are: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32; (8)ACD/KOC (pH 7.4): 33; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 64.94 Å²; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 36.814 cm³; (15)Molar Volume: 95.072 cm³; (16)Polarizability: 14.594×10^-24cm³; (17)Surface Tension: 74.397 dyne/cm; (18)Enthalpy of Vaporization: 53.044 kJ/mol; (19)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c2c(nc1)occ2)N
(2)InChI: InChI=1/C6H5N3O/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H,(H2,7,8,9)
(3)InChIKey: JPIPZNJBXFDXHH-UHFFFAOYAY