N4-[3-(1H-imidazol-1-yl)propyl]-N2,N2,5,6-tetramethylpyrimidine-2,4-diamine

• ChemBase ID: 675486
• Molecular Formular: C14H22N6
• Molecular Mass: 274.36468
• Monoisotopic Mass: 274.19059473
• SMILES: n1c(nc(c(c1NCCCn1cncc1)C)C)N(C)C
• Canonical SMILES: Cc1nc(nc(c1C)NCCCn1cncc1)N(C)C
• InChI: InChI=1S/C14H22N6/c1-11-12(2)17-14(19(3)4)18-13(11)16-6-5-8-20-9-7-15-10-20/h7,9-10H,5-6,8H2,1-4H3,(H,16,17,18)
• InChIKey: ZGXJYTUDTHQFTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4-[3-(1H-imidazol-1-yl)propyl]-N2,N2,5,6-tetramethylpyrimidine-2,4-diamine
• IUPAC Traditional name: N4-[3-(imidazol-1-yl)propyl]-N2,N2,5,6-tetramethylpyrimidine-2,4-diamine
• Synonyms: N~4~-[3-(1H-imidazol-1-yl)propyl]-N~2~,N~2~,5,6-tetramethylpyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.72794247
• LogD (pH = 7.4): 1.0475446
• Log P: 1.5154792
• Molar Refractivity: 84.0428 cm^3
• Polarizability: 29.879917 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.49
• LOG S: -3.33
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 6