N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-{[2-(morpholin-4-yl)pyrimidin-5-yl]methyl}cyclopropanamine

• ChemBase ID: 667460
• Molecular Formular: C17H24N6O
• Molecular Mass: 328.41206
• Monoisotopic Mass: 328.20115942
• SMILES: c1(n(ccn1)C)CN(C1CC1)Cc1cnc(nc1)N1CCOCC1
• Canonical SMILES: Cn1ccnc1CN(C1CC1)Cc1cnc(nc1)N1CCOCC1
• InChI: InChI=1S/C17H24N6O/c1-21-5-4-18-16(21)13-23(15-2-3-15)12-14-10-19-17(20-11-14)22-6-8-24-9-7-22/h4-5,10-11,15H,2-3,6-9,12-13H2,1H3
• InChIKey: JLRUKLLSBGGMPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-{[2-(morpholin-4-yl)pyrimidin-5-yl]methyl}cyclopropanamine
• IUPAC Traditional name: N-[(1-methylimidazol-2-yl)methyl]-N-{[2-(morpholin-4-yl)pyrimidin-5-yl]methyl}cyclopropanamine
• Synonyms: N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.095127925
• LogD (pH = 7.4): 0.8936431
• Log P: 0.9278718
• Molar Refractivity: 93.7164 cm^3
• Polarizability: 35.18613 Å^3
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.62
• LOG S: -1.12
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 6