{[2-(methoxymethyl)pyrimidin-5-yl]methyl}(methyl)[(2-phenyl-1,3-thiazol-4-yl)methyl]amine

• ChemBase ID: 832040
• Molecular Formular: C18H20N4OS
• Molecular Mass: 340.4426
• Monoisotopic Mass: 340.13578228
• SMILES: n1c(scc1CN(Cc1cnc(nc1)COC)C)c1ccccc1
• Canonical SMILES: COCc1ncc(cn1)CN(Cc1csc(n1)c1ccccc1)C
• InChI: InChI=1S/C18H20N4OS/c1-22(10-14-8-19-17(12-23-2)20-9-14)11-16-13-24-18(21-16)15-6-4-3-5-7-15/h3-9,13H,10-12H2,1-2H3
• InChIKey: MNCUXKPUERJXAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(methoxymethyl)pyrimidin-5-yl]methyl}(methyl)[(2-phenyl-1,3-thiazol-4-yl)methyl]amine
• IUPAC Traditional name: {[2-(methoxymethyl)pyrimidin-5-yl]methyl}(methyl)[(2-phenyl-1,3-thiazol-4-yl)methyl]amine
• Synonyms: 1-[2-(methoxymethyl)-5-pyrimidinyl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0357783
• LogD (pH = 7.4): 2.753552
• Log P: 2.7776036
• Molar Refractivity: 106.7432 cm^3
• Polarizability: 37.59949 Å^3
• Polar Surface Area: 51.14 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: 2.44
• LOG S: -2.76
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 7