6-methoxy-2-(4-methyl-2-propyl-1H-imidazol-1-yl)pyridin-3-amine

• ChemBase ID: 117128
• Molecular Formular: C13H18N4O
• Molecular Mass: 246.30822
• Monoisotopic Mass: 246.14806122
• SMILES: n1(c2nc(ccc2N)OC)c(nc(c1)C)CCC
• Canonical SMILES: CCCc1nc(cn1c1nc(OC)ccc1N)C
• InChI: InChI=1S/C13H18N4O/c1-4-5-11-15-9(2)8-17(11)13-10(14)6-7-12(16-13)18-3/h6-8H,4-5,14H2,1-3H3
• InChIKey: WOHSRDRUVGEMTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-(4-methyl-2-propyl-1H-imidazol-1-yl)pyridin-3-amine
• IUPAC Traditional name: 6-methoxy-2-(4-methyl-2-propylimidazol-1-yl)pyridin-3-amine
• Synonyms: 6-methoxy-2-(4-methyl-2-propyl-1H-imidazol-1-yl)pyridin-3-amine

Database IDs

• PubChem SID: 162107113
• PubChem CID: 11299588

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7293977
• LogD (pH = 7.4): 1.7274275
• Log P: 1.7882
• Molar Refractivity: 81.9002 cm^3
• Polarizability: 26.72034 Å^3
• Polar Surface Area: 65.96 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.053

Product Information

• Purity: 95+%