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

• ChemBase ID: 376768
• Molecular Formular: C16H18Cl2N4O
• Molecular Mass: 353.24632
• Monoisotopic Mass: 352.08576658
• SMILES: c1(N2CC(c3cc(c(cc3)Cl)Cl)OCC2)cc(ncn1)N(C)C
• Canonical SMILES: CN(c1ncnc(c1)N1CCOC(C1)c1ccc(c(c1)Cl)Cl)C
• InChI: InChI=1S/C16H18Cl2N4O/c1-21(2)15-8-16(20-10-19-15)22-5-6-23-14(9-22)11-3-4-12(17)13(18)7-11/h3-4,7-8,10,14H,5-6,9H2,1-2H3
• InChIKey: PMFXTKFKRMEIPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.8953774
• LogD (pH = 7.4): 4.1051846
• Log P: 4.228567
• Molar Refractivity: 95.1734 cm^3
• Polarizability: 35.219666 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.67
• LOG S: -4.91
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 3