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

• ChemBase ID: 745501
• Molecular Formular: C14H14Cl2N4O
• Molecular Mass: 325.19316
• Monoisotopic Mass: 324.05446645
• SMILES: c1(nc(ccn1)N)N1CC(c2cc(c(cc2)Cl)Cl)OCC1
• Canonical SMILES: Nc1ccnc(n1)N1CCOC(C1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C14H14Cl2N4O/c15-10-2-1-9(7-11(10)16)12-8-20(5-6-21-12)14-18-4-3-13(17)19-14/h1-4,7,12H,5-6,8H2,(H2,17,18,19)
• InChIKey: PUGGDNNFXJTMJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.1320584
• LogD (pH = 7.4): 3.2051828
• Log P: 3.375926
• Molar Refractivity: 85.0777 cm^3
• Polarizability: 31.562897 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: 3.73
• LOG S: -4.76
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 2