4-(6-cyclopropylpyrimidin-4-yl)-2-(6-methoxynaphthalen-2-yl)morpholine

• ChemBase ID: 560993
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: c1(N2CC(c3cc4c(cc(cc4)OC)cc3)OCC2)cc(C2CC2)ncn1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)c1ncnc(c1)C1CC1
• InChI: InChI=1S/C22H23N3O2/c1-26-19-7-6-16-10-18(5-4-17(16)11-19)21-13-25(8-9-27-21)22-12-20(15-2-3-15)23-14-24-22/h4-7,10-12,14-15,21H,2-3,8-9,13H2,1H3
• InChIKey: HKQVJWGDNUQJRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-cyclopropylpyrimidin-4-yl)-2-(6-methoxynaphthalen-2-yl)morpholine
• IUPAC Traditional name: 4-(6-cyclopropylpyrimidin-4-yl)-2-(6-methoxynaphthalen-2-yl)morpholine
• Synonyms: 4-(6-cyclopropylpyrimidin-4-yl)-2-(6-methoxy-2-naphthyl)morpholine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 0
• Log P: 3.79
• LOG S: -5.07
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4

JChem

• LogD (pH = 5.5): 3.7633827
• LogD (pH = 7.4): 4.055541
• Log P: 4.0609484
• Molar Refractivity: 105.7258 cm^3
• Polarizability: 41.340588 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0