[2-(piperidin-1-yl)pyrimidin-4-yl]methanamine

• ChemBase ID: 803727
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: C(N)c1ccnc(n1)N1CCCCC1
• Canonical SMILES: NCc1ccnc(n1)N1CCCCC1
• InChI: InChI=1S/C10H16N4/c11-8-9-4-5-12-10(13-9)14-6-2-1-3-7-14/h4-5H,1-3,6-8,11H2
• InChIKey: VNTOGTSCGVKRIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(piperidin-1-yl)pyrimidin-4-yl]methanamine
• IUPAC Traditional name: [2-(piperidin-1-yl)pyrimidin-4-yl]methanamine
• Synonyms: 1-(2-PIPERIDIN-1-YLPYRIMIDIN-4-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8145216
• LogD (pH = 7.4): -0.22177671
• Log P: 0.8941718
• Molar Refractivity: 57.1901 cm^3
• Polarizability: 21.519629 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%