N4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine

• ChemBase ID: 832275
• Molecular Formular: C14H19N5O
• Molecular Mass: 273.33356
• Monoisotopic Mass: 273.15896025
• SMILES: n1c(nc(cc1NCc1c(c(c(cn1)C)OC)C)C)N
• Canonical SMILES: COc1c(C)cnc(c1C)CNc1cc(C)nc(n1)N
• InChI: InChI=1S/C14H19N5O/c1-8-6-16-11(10(3)13(8)20-4)7-17-12-5-9(2)18-14(15)19-12/h5-6H,7H2,1-4H3,(H3,15,17,18,19)
• InChIKey: CVBJLTZSVDCUDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine
• IUPAC Traditional name: N4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine
• Synonyms: N~4~-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.018263
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.81147116
• LogD (pH = 7.4): 0.7845582
• Log P: 1.5556455
• Molar Refractivity: 80.9466 cm^3
• Polarizability: 29.166271 Å^3
• Polar Surface Area: 85.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.35
• LOG S: -2.43
• Polar Surface Area: 85.95 Å^2
• Rotatable Bonds: 4