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

• ChemBase ID: 415590
• Molecular Formular: C13H20N6
• Molecular Mass: 260.3381
• Monoisotopic Mass: 260.17494467
• SMILES: n1c(nc(c(c1NCCn1cncc1)C)C)N(C)C
• Canonical SMILES: Cc1nc(nc(c1C)NCCn1cncc1)N(C)C
• InChI: InChI=1S/C13H20N6/c1-10-11(2)16-13(18(3)4)17-12(10)15-6-8-19-7-5-14-9-19/h5,7,9H,6,8H2,1-4H3,(H,15,16,17)
• InChIKey: UQWSLDMMUPORHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.7812605
• LogD (pH = 7.4): 0.9967932
• Log P: 1.4555194
• Molar Refractivity: 79.1774 cm^3
• Polarizability: 28.040981 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.13
• LOG S: -2.92
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5