6-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pyrimidin-4-amine

• ChemBase ID: 780001
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: c1(N2CC(c3cc4c(cc(cc4)OC)cc3)OCC2)cc(ncn1)N
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)c1ncnc(c1)N
• InChI: InChI=1S/C19H20N4O2/c1-24-16-5-4-13-8-15(3-2-14(13)9-16)17-11-23(6-7-25-17)19-10-18(20)21-12-22-19/h2-5,8-10,12,17H,6-7,11H2,1H3,(H2,20,21,22)
• InChIKey: BRVQORUHVAWHTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pyrimidin-4-amine
• IUPAC Traditional name: 6-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pyrimidin-4-amine
• Synonyms: 6-[2-(6-methoxy-2-naphthyl)morpholin-4-yl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.4069821
• LogD (pH = 7.4): 2.7161655
• Log P: 2.9153137
• Molar Refractivity: 98.749 cm^3
• Polarizability: 37.74854 Å^3
• Polar Surface Area: 73.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.82
• LOG S: -4.06
• Polar Surface Area: 73.5 Å^2
• Rotatable Bonds: 3