6-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyrimidin-4-amine

• ChemBase ID: 704065
• Molecular Formular: C14H14Cl2N4O
• Molecular Mass: 325.19316
• Monoisotopic Mass: 324.05446645
• SMILES: c1(N2CC(c3cc(c(cc3)Cl)Cl)OCC2)cc(ncn1)N
• Canonical SMILES: Nc1ncnc(c1)N1CCOC(C1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C14H14Cl2N4O/c15-10-2-1-9(5-11(10)16)12-7-20(3-4-21-12)14-6-13(17)18-8-19-14/h1-2,5-6,8,12H,3-4,7H2,(H2,17,18,19)
• InChIKey: DWRNPWWXSDXHTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyrimidin-4-amine
• IUPAC Traditional name: 6-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyrimidin-4-amine
• Synonyms: 6-[2-(3,4-dichlorophenyl)morpholin-4-yl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.783266
• LogD (pH = 7.4): 3.0924494
• Log P: 3.2915976
• Molar Refractivity: 85.4452 cm^3
• Polarizability: 31.558823 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.74
• LOG S: -3.91
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 2