N-methyl-6-(tributylstannyl)pyrimidin-4-amine

• ChemBase ID: 801446
• Molecular Formular: C17H33N3Sn
• Molecular Mass: 398.16502
• Monoisotopic Mass: 399.16964207
• SMILES: c1c(ncnc1NC)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ncnc(c1)NC)(CCCC)CCCC
• InChI: InChI=1S/C5H6N3.3C4H9.Sn/c1-6-5-2-3-7-4-8-5;3*1-3-4-2;/h2,4H,1H3,(H,6,7,8);3*1,3-4H2,2H3
• InChIKey: CZWQNTMBCXZQIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-6-(tributylstannyl)pyrimidin-4-amine
• IUPAC Traditional name: N-methyl-6-(tributylstannyl)pyrimidin-4-amine
• Synonyms: 6-METHYLAMINO-4-(TRIBUTYLSTANNYL)PYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9766414
• LogD (pH = 7.4): 3.9210598
• Log P: 3.9688
• Molar Refractivity: 91.3751 cm^3
• Polarizability: 38.962925 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%