methyl({[2-(morpholin-4-yl)pyrimidin-5-yl]methyl}){[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}amine

• ChemBase ID: 792169
• Molecular Formular: C16H24N6O2
• Molecular Mass: 332.40076
• Monoisotopic Mass: 332.19607404
• SMILES: n1c(noc1C(C)C)CN(Cc1cnc(nc1)N1CCOCC1)C
• Canonical SMILES: CN(Cc1noc(n1)C(C)C)Cc1cnc(nc1)N1CCOCC1
• InChI: InChI=1S/C16H24N6O2/c1-12(2)15-19-14(20-24-15)11-21(3)10-13-8-17-16(18-9-13)22-4-6-23-7-5-22/h8-9,12H,4-7,10-11H2,1-3H3
• InChIKey: FEMDBDOIWPGPEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[2-(morpholin-4-yl)pyrimidin-5-yl]methyl}){[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}amine
• IUPAC Traditional name: [(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl](methyl){[2-(morpholin-4-yl)pyrimidin-5-yl]methyl}amine
• Synonyms: 1-(5-isopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-{[2-(4-morpholinyl)-5-pyrimidinyl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.7650429
• LogD (pH = 7.4): 1.8770866
• Log P: 1.8787194
• Molar Refractivity: 93.0956 cm^3
• Polarizability: 34.24552 Å^3
• Polar Surface Area: 80.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.03
• LOG S: -1.5
• Polar Surface Area: 80.41 Å^2
• Rotatable Bonds: 6