N4,N4,N6-trimethyl-N6-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine

• ChemBase ID: 402488
• Molecular Formular: C17H19N5
• Molecular Mass: 293.36626
• Monoisotopic Mass: 293.16404563
• SMILES: c1(cc(ncn1)N(C)C)N(Cc1nc2c(cc1)cccc2)C
• Canonical SMILES: CN(c1ncnc(c1)N(C)C)Cc1ccc2c(n1)cccc2
• InChI: InChI=1S/C17H19N5/c1-21(2)16-10-17(19-12-18-16)22(3)11-14-9-8-13-6-4-5-7-15(13)20-14/h4-10,12H,11H2,1-3H3
• InChIKey: LIJZTSRMEDIISK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4,N4,N6-trimethyl-N6-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine
• IUPAC Traditional name: N4,N4,N6-trimethyl-N6-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine
• Synonyms: N,N,N'-trimethyl-N'-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0643997
• LogD (pH = 7.4): 3.2893164
• Log P: 3.4183378
• Molar Refractivity: 90.2182 cm^3
• Polarizability: 34.412075 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.15
• LOG S: -4.03
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 4