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

• ChemBase ID: 68227
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: c1(nc(cc(n1)C)N1CCCCC1)N
• Canonical SMILES: Cc1cc(nc(n1)N)N1CCCCC1
• InChI: InChI=1S/C10H16N4/c1-8-7-9(13-10(11)12-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H2,11,12,13)
• InChIKey: ZWVDHBALCSTSJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 91717-22-5
• MDL Number: MFCD01011781
• PubChem SID: 162033959
• PubChem CID: 748221

CALCULATED PROPERTIES

• Acid pKa: 17.022804
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.25890538
• LogD (pH = 7.4): 0.8753782
• Log P: 1.5838332
• Molar Refractivity: 58.8443 cm^3
• Polarizability: 21.05585 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%