N4-[(4-methanesulfonylmorpholin-2-yl)methyl]-N2,N2,5,6-tetramethylpyrimidine-2,4-diamine

• ChemBase ID: 766913
• Molecular Formular: C14H25N5O3S
• Molecular Mass: 343.445
• Monoisotopic Mass: 343.16781069
• SMILES: S(=O)(=O)(N1CC(OCC1)CNc1nc(nc(c1C)C)N(C)C)C
• Canonical SMILES: Cc1nc(nc(c1C)NCC1OCCN(C1)S(=O)(=O)C)N(C)C
• InChI: InChI=1S/C14H25N5O3S/c1-10-11(2)16-14(18(3)4)17-13(10)15-8-12-9-19(6-7-22-12)23(5,20)21/h12H,6-9H2,1-5H3,(H,15,16,17)
• InChIKey: HNGOLYJDGVWQJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4-[(4-methanesulfonylmorpholin-2-yl)methyl]-N2,N2,5,6-tetramethylpyrimidine-2,4-diamine
• IUPAC Traditional name: N4-[(4-methanesulfonylmorpholin-2-yl)methyl]-N2,N2,5,6-tetramethylpyrimidine-2,4-diamine
• Synonyms: N~2~,N~2~,5,6-tetramethyl-N~4~-{[4-(methylsulfonyl)morpholin-2-yl]methyl}pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.43661
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -1.5707375
• LogD (pH = 7.4): -0.25545055
• Log P: 0.13043684
• Molar Refractivity: 91.8729 cm^3
• Polarizability: 34.434208 Å^3
• Polar Surface Area: 87.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.9
• LOG S: -3.32
• Polar Surface Area: 87.66 Å^2
• Rotatable Bonds: 4