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

• ChemBase ID: 798369
• Molecular Formular: C9H15Cl2N5O
• Molecular Mass: 280.1543
• Monoisotopic Mass: 279.06536549
• SMILES: Cl.C1=C(NC(N=C1OC)(NC1=NCCN1)C)Cl
• Canonical SMILES: COC1=NC(NC(=C1)Cl)(C)NC1=NCCN1.Cl
• InChI: InChI=1S/C9H14ClN5O.ClH/c1-9(15-8-11-3-4-12-8)13-6(10)5-7(14-9)16-2;/h5,13H,3-4H2,1-2H3,(H2,11,12,15);1H
• InChIKey: SKWXZGXGBKLLOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-2-methyl-1,2-dihydropyrimidin-2-amine hydrochloride
• IUPAC Traditional name: 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methyl-3H-pyrimidin-2-amine hydrochloride
• Synonyms: 4-chloro-n-(4,5-dihydro-1h-imidazol-2-yl)-6-methoxy-2-methyl-3h-pyrimidin-2-amine hydrochloride

Database IDs

• CAS Number: 75438-58-3

CALCULATED PROPERTIES

• Acid pKa: 18.129297
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.2662148
• LogD (pH = 7.4): -0.52249527
• Log P: 1.1228193
• Molar Refractivity: 71.6149 cm^3
• Polarizability: 23.104101 Å^3
• Polar Surface Area: 70.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%