5-Pyrimidinamine,4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methyl-

The IUPAC name of Moxonidine is 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine. With the CAS registry number 75438-57-2, it is also named as 5-Pyrimidinamine, 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methyl-. The product's categories are API's; Antihypertensive; Cardiovascular Agents; Drug Agent. Besides, it is crystal. In addition, its molecular formula is C₉H₁₂ClN₅O and molecular weight is 241.68.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.39; (4)ACD/LogD (pH 7.4): -1.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.68; (13)Molar Refractivity: 59.81 cm³; (14)Molar Volume: 158.1 cm³; (15)Surface Tension: 51.7 dyne/cm; (16)Density: 1.52 g/cm³; (17)Melting Point: 217-219 °C; (18)Flash Point: 174.3 °C; (19)Enthalpy of Vaporization: 61.09 kJ/mol; (20)Boiling Point: 364.7 °C at 760 mmHg; (21)Vapour Pressure: 1.66E-05 mmHg at 25 °C.

Preparation of Moxonidine: first, please use 5-Amino-4,6-dichloro-2-methy pyrimidine to react with 1-Acetyl-2-imidazolidinone. And then use the resultant to react with Sodium methoxide. And you would obtain this chemical.

Uses of Moxonidine: this chemical is an antihypertensive drug licensed for the treatment of mild to moderate essential hypertension. Moreover, it is a selective agonist at the imidazoline receptor subtype 1 (I₁). It can also promote sodium excretion to improve insulin resistance and glucose tolerance and protect against hypertensive target organ damage, such as kidney disease and cardiac hypertrophy.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1nc(nc(OC)c1N/C2=N/CCN2)C
(2)InChI: InChI=1/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)
(3)InChIKey: WPNJAUFVNXKLIM-UHFFFAOYAJ

The toxicity data is as follows: