6-methyl-2-N-(6-methylpyridin-2-yl)pyrimidine-2,4-diamine

• ChemBase ID: 114573
• Molecular Formular: C11H13N5
• Molecular Mass: 215.25442
• Monoisotopic Mass: 215.11709544
• SMILES: c1(nc(cc(n1)C)N)Nc1nc(ccc1)C
• Canonical SMILES: Cc1cccc(n1)Nc1nc(C)cc(n1)N
• InChI: InChI=1S/C11H13N5/c1-7-4-3-5-10(13-7)16-11-14-8(2)6-9(12)15-11/h3-6H,1-2H3,(H3,12,13,14,15,16)
• InChIKey: TWJAVGRONQLINE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-N-(6-methylpyridin-2-yl)pyrimidine-2,4-diamine
• IUPAC Traditional name: 6-methyl-2-N-(6-methylpyridin-2-yl)pyrimidine-2,4-diamine
• Synonyms: 6-methyl-N~2~-(6-methylpyridin-2-yl)pyrimidine-2,4-diamine

Database IDs

• MDL Number: MFCD21091704
• PubChem SID: 162101269
• PubChem CID: 56724731

CALCULATED PROPERTIES

• Acid pKa: 10.521312
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.4041639
• LogD (pH = 7.4): 1.5125928
• Log P: 1.5735043
• Molar Refractivity: 63.508 cm^3
• Polarizability: 23.036476 Å^3
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.74

Product Information

• Purity: 95+%