4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine

• ChemBase ID: 342836
• Molecular Formular: C13H21N3O2
• Molecular Mass: 251.32474
• Monoisotopic Mass: 251.16337693
• SMILES: N1(Cc2cnc(nc2)OC)C(COCC1)CCC
• Canonical SMILES: CCCC1COCCN1Cc1cnc(nc1)OC
• InChI: InChI=1S/C13H21N3O2/c1-3-4-12-10-18-6-5-16(12)9-11-7-14-13(17-2)15-8-11/h7-8,12H,3-6,9-10H2,1-2H3
• InChIKey: PEZDLSMPPBMORF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine
• IUPAC Traditional name: 4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine
• Synonyms: 4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.759279
• LogD (pH = 7.4): 1.6392366
• Log P: 1.6774126
• Molar Refractivity: 70.2925 cm^3
• Polarizability: 27.288235 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.96
• LOG S: -1.7
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 5