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

• ChemBase ID: 582693
• Molecular Formular: C15H21N5O
• Molecular Mass: 287.36014
• Monoisotopic Mass: 287.17461032
• SMILES: c1(n(ccn1)C)CN(C1CC1)Cc1cnc(nc1)COC
• Canonical SMILES: COCc1ncc(cn1)CN(C1CC1)Cc1nccn1C
• InChI: InChI=1S/C15H21N5O/c1-19-6-5-16-15(19)10-20(13-3-4-13)9-12-7-17-14(11-21-2)18-8-12/h5-8,13H,3-4,9-11H2,1-2H3
• InChIKey: GGHUHNKVFMFNRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.11294981
• LogD (pH = 7.4): 0.6357499
• Log P: 0.66480505
• Molar Refractivity: 81.3451 cm^3
• Polarizability: 31.083311 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.12
• LOG S: -1.5
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 7