4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine hydrochloride

• ChemBase ID: 132948
• Molecular Formular: C9H13Cl2N5O
• Molecular Mass: 278.13842
• Monoisotopic Mass: 277.04971542
• SMILES: Cc1nc(c(c(n1)Cl)NC1=NCCN1)OC.Cl
• Canonical SMILES: COc1nc(C)nc(c1NC1=NCCN1)Cl.Cl
• InChI: InChI=1S/C9H12ClN5O.ClH/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);1H
• InChIKey: ZZPAWQYZQVUVHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine hydrochloride
• IUPAC Traditional name: moxonidine hydrochloride
• Synonyms: 4-Chloro-6-methoxy-2-methyl-5-(2-imidazolin-2-yl)aminopyrimidine hydrochloride; BDF-5895; Moxonidine hydrochloride

Database IDs

• MDL Number: MFCD06795643
• PubChem SID: 24278537; 162227225
• PubChem CID: 11231255

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.1555721
• LogD (pH = 7.4): 1.3023546
• Log P: 1.5387771
• Molar Refractivity: 63.4107 cm^3
• Polarizability: 22.676504 Å^3
• Polar Surface Area: 71.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Gene Information: human ... ADRA2A(150), ADRA2B(151), ADRA2C(152)

Product Information

• Purity: ≥98%

DETAILS

Sigma Aldrich - M1559

Biochem/physiol Actions
α2-adrenoceptor agonist and I1 imidazoline binding site agonist that, in many applications, demonstrates selectivity for the high-affinity I1 imidazoline binding site over the α2-adrenoceptor; antihypertensive. Its analgesic effects appear to be due to its agonist activity at spinal α2C-adrenoceptors.