2-Amino-5-bromo-4-methoxypyrimidine (36082-45-8)

The 2-Amino-5-bromo-4-methoxypyrimidine with the CAS number 36082-45-8 is also called 2-pyrimidinamine, 5-bromo-4-methoxy-. The IUPAC name is 5-bromo-4-methoxypyrimidin-2-amine. Its molecular formula is C₅H₆BrN₃O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.846; (4)ACD/LogD (pH 7.4): 0.855; (5)ACD/BCF (pH 5.5): 2.577; (6)ACD/BCF (pH 7.4): 2.629; (7)ACD/KOC (pH 5.5): 68.13; (8)ACD/KOC (pH 7.4): 69.516; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.03 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 41.04 cm³; (15)Molar Volume: 118.348 cm³; (16)Polarizability: 16.27×10^-24cm³; (17)Surface Tension: 59.409 dyne/cm; (18)Enthalpy of Vaporization: 61.101 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(cnc(n1)N)Br
(2)InChI: InChI=1/C5H6BrN3O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H2,7,8,9)
(3)InChIKey: YGRROWNSCFWHHN-UHFFFAOYAY