6-methyl-2-(piperidin-1-yl)pyrimidin-4-amine

• ChemBase ID: 114560
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: c1(nc(cc(n1)C)N)N1CCCCC1
• Canonical SMILES: Cc1cc(N)nc(n1)N1CCCCC1
• InChI: InChI=1S/C10H16N4/c1-8-7-9(11)13-10(12-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H2,11,12,13)
• InChIKey: CGQSWCVGNGYIRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(piperidin-1-yl)pyrimidin-4-amine
• IUPAC Traditional name: 6-methyl-2-(piperidin-1-yl)pyrimidin-4-amine
• Synonyms: 6-methyl-2-piperidin-1-ylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD16691275
• PubChem SID: 162099464
• PubChem CID: 56828606

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.22379807
• LogD (pH = 7.4): 0.9905696
• Log P: 1.5838332
• Molar Refractivity: 58.8443 cm^3
• Polarizability: 21.056026 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.815

Product Information

• Purity: 95+%