N-ethyl-2-[2-(2-methoxyethyl)morpholin-4-yl]pyrimidin-4-amine

• ChemBase ID: 794479
• Molecular Formular: C13H22N4O2
• Molecular Mass: 266.33938
• Monoisotopic Mass: 266.17427596
• SMILES: c1(nc(ccn1)NCC)N1CC(OCC1)CCOC
• Canonical SMILES: COCCC1OCCN(C1)c1nccc(n1)NCC
• InChI: InChI=1S/C13H22N4O2/c1-3-14-12-4-6-15-13(16-12)17-7-9-19-11(10-17)5-8-18-2/h4,6,11H,3,5,7-10H2,1-2H3,(H,14,15,16)
• InChIKey: MHAQKMWZHAZFMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-[2-(2-methoxyethyl)morpholin-4-yl]pyrimidin-4-amine
• IUPAC Traditional name: N-ethyl-2-[2-(2-methoxyethyl)morpholin-4-yl]pyrimidin-4-amine
• Synonyms: N-ethyl-2-[2-(2-methoxyethyl)morpholin-4-yl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.08172412
• LogD (pH = 7.4): 0.9764927
• Log P: 1.1148598
• Molar Refractivity: 77.0064 cm^3
• Polarizability: 28.065928 Å^3
• Polar Surface Area: 59.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.76
• LOG S: -2.65
• Polar Surface Area: 59.51 Å^2
• Rotatable Bonds: 6