(morpholin-2-ylmethyl)({[2-(naphthalen-2-yl)pyrimidin-5-yl]methyl})amine

• ChemBase ID: 703551
• Molecular Formular: C20H22N4O
• Molecular Mass: 334.41488
• Monoisotopic Mass: 334.17936134
• SMILES: c1(ncc(cn1)CNCC1OCCNC1)c1cc2c(cc1)cccc2
• Canonical SMILES: C1COC(CN1)CNCc1cnc(nc1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C20H22N4O/c1-2-4-17-9-18(6-5-16(17)3-1)20-23-11-15(12-24-20)10-22-14-19-13-21-7-8-25-19/h1-6,9,11-12,19,21-22H,7-8,10,13-14H2
• InChIKey: CFYFHQMQBPPTEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (morpholin-2-ylmethyl)({[2-(naphthalen-2-yl)pyrimidin-5-yl]methyl})amine
• IUPAC Traditional name: (morpholin-2-ylmethyl)({[2-(naphthalen-2-yl)pyrimidin-5-yl]methyl})amine
• Synonyms: (morpholin-2-ylmethyl){[2-(2-naphthyl)pyrimidin-5-yl]methyl}amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.920907
• LogD (pH = 7.4): 0.76619947
• Log P: 2.283988
• Molar Refractivity: 109.3007 cm^3
• Polarizability: 40.464527 Å^3
• Polar Surface Area: 59.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.01
• LOG S: -2.35
• Polar Surface Area: 59.07 Å^2
• Rotatable Bonds: 5