N-[2-methyl-6-(piperidin-4-yl)pyridin-4-yl]pyrimidin-2-amine

• ChemBase ID: 62425
• Molecular Formular: C15H19N5
• Molecular Mass: 269.34486
• Monoisotopic Mass: 269.16404563
• SMILES: n1c(cc(Nc2ncccn2)cc1C)C1CCNCC1
• Canonical SMILES: Cc1cc(cc(n1)C1CCNCC1)Nc1ncccn1
• InChI: InChI=1S/C15H19N5/c1-11-9-13(20-15-17-5-2-6-18-15)10-14(19-11)12-3-7-16-8-4-12/h2,5-6,9-10,12,16H,3-4,7-8H2,1H3,(H,17,18,19,20)
• InChIKey: YZLOQRUOVMBQPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methyl-6-(piperidin-4-yl)pyridin-4-yl]pyrimidin-2-amine
• IUPAC Traditional name: N-[2-methyl-6-(piperidin-4-yl)pyridin-4-yl]pyrimidin-2-amine
• Synonyms: (6-Methyl-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl-4-yl)-pyrimidin-2-yl-amine

Database IDs

• MDL Number: MFCD19691431
• PubChem SID: 162028164
• PubChem CID: 66509766

CALCULATED PROPERTIES

• Acid pKa: 12.747903
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.9646318
• LogD (pH = 7.4): -1.2396297
• Log P: 1.317093
• Molar Refractivity: 78.6122 cm^3
• Polarizability: 30.059607 Å^3
• Polar Surface Area: 62.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false