5-ethyl-N4-methyl-N4-[2-(morpholin-4-yl)propyl]pyrimidine-2,4-diamine

• ChemBase ID: 429824
• Molecular Formular: C14H25N5O
• Molecular Mass: 279.3812
• Monoisotopic Mass: 279.20591045
• SMILES: n1c(N(CC(N2CCOCC2)C)C)c(cnc1N)CC
• Canonical SMILES: CCc1cnc(nc1N(CC(N1CCOCC1)C)C)N
• InChI: InChI=1S/C14H25N5O/c1-4-12-9-16-14(15)17-13(12)18(3)10-11(2)19-5-7-20-8-6-19/h9,11H,4-8,10H2,1-3H3,(H2,15,16,17)
• InChIKey: UWWJLYBQJKGYNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N4-methyl-N4-[2-(morpholin-4-yl)propyl]pyrimidine-2,4-diamine
• IUPAC Traditional name: 5-ethyl-N4-methyl-N4-[2-(morpholin-4-yl)propyl]pyrimidine-2,4-diamine
• Synonyms: 5-ethyl-N~4~-methyl-N~4~-(2-morpholin-4-ylpropyl)pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.565107
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.67644477
• LogD (pH = 7.4): 1.5342885
• Log P: 1.7768061
• Molar Refractivity: 83.2654 cm^3
• Polarizability: 30.645077 Å^3
• Polar Surface Area: 67.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.48
• LOG S: -0.93
• Polar Surface Area: 67.51 Å^2
• Rotatable Bonds: 5