[2-(piperidin-1-yl)pyrimidin-5-yl]methanamine

• ChemBase ID: 803606
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: C(N)c1cnc(nc1)N1CCCCC1
• Canonical SMILES: NCc1cnc(nc1)N1CCCCC1
• InChI: InChI=1S/C10H16N4/c11-6-9-7-12-10(13-8-9)14-4-2-1-3-5-14/h7-8H,1-6,11H2
• InChIKey: YSBFLOZLOZOOLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(piperidin-1-yl)pyrimidin-5-yl]methanamine
• IUPAC Traditional name: [2-(piperidin-1-yl)pyrimidin-5-yl]methanamine
• Synonyms: 1-(2-PIPERIDIN-1-YLPYRIMIDIN-5-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.086994
• LogD (pH = 7.4): -0.7603576
• Log P: 0.8126999
• Molar Refractivity: 57.7123 cm^3
• Polarizability: 21.519135 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%