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

• ChemBase ID: 114581
• Molecular Formular: C10H11N5
• Molecular Mass: 201.22784
• Monoisotopic Mass: 201.10144538
• SMILES: c1(nc(cc(n1)C)N)Nc1ncccc1
• Canonical SMILES: Cc1nc(Nc2ccccn2)nc(c1)N
• InChI: InChI=1S/C10H11N5/c1-7-6-8(11)14-10(13-7)15-9-4-2-3-5-12-9/h2-6H,1H3,(H3,11,12,13,14,15)
• InChIKey: OFXFNRPEXLCJIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162106962
• PubChem CID: 56724739

CALCULATED PROPERTIES

• Acid pKa: 10.378045
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.385492
• LogD (pH = 7.4): 1.3849198
• Log P: 1.4421341
• Molar Refractivity: 58.9165 cm^3
• Polarizability: 21.273066 Å^3
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.481

Product Information

• Purity: 95+%