5-ethyl-N-[3-(morpholin-4-yl)propyl]pyrimidin-2-amine

• ChemBase ID: 518403
• Molecular Formular: C13H22N4O
• Molecular Mass: 250.33998
• Monoisotopic Mass: 250.17936134
• SMILES: c1(ncc(cn1)CC)NCCCN1CCOCC1
• Canonical SMILES: CCc1cnc(nc1)NCCCN1CCOCC1
• InChI: InChI=1S/C13H22N4O/c1-2-12-10-15-13(16-11-12)14-4-3-5-17-6-8-18-9-7-17/h10-11H,2-9H2,1H3,(H,14,15,16)
• InChIKey: CUYOENLYEHXTGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-[3-(morpholin-4-yl)propyl]pyrimidin-2-amine
• IUPAC Traditional name: 5-ethyl-N-[3-(morpholin-4-yl)propyl]pyrimidin-2-amine
• Synonyms: 5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.509338
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.40895185
• LogD (pH = 7.4): 0.8966422
• Log P: 1.0193934
• Molar Refractivity: 74.4633 cm^3
• Polarizability: 27.665 Å^3
• Polar Surface Area: 50.28 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: 1.19
• LOG S: -1.03
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 6