2-(3,5-dimethylpiperidin-1-yl)-6-methylpyrimidin-4-amine

• ChemBase ID: 114570
• Molecular Formular: C12H20N4
• Molecular Mass: 220.314
• Monoisotopic Mass: 220.16879666
• SMILES: c1(nc(cc(n1)C)N)N1CC(CC(C1)C)C
• Canonical SMILES: CC1CC(C)CN(C1)c1nc(C)cc(n1)N
• InChI: InChI=1S/C12H20N4/c1-8-4-9(2)7-16(6-8)12-14-10(3)5-11(13)15-12/h5,8-9H,4,6-7H2,1-3H3,(H2,13,14,15)
• InChIKey: DQJISTIYNJFIOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dimethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
• IUPAC Traditional name: 2-(3,5-dimethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
• Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-6-methylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD21091702
• PubChem SID: 162099682
• PubChem CID: 56724729

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5075713
• LogD (pH = 7.4): 1.7244439
• Log P: 2.3137789
• Molar Refractivity: 67.7875 cm^3
• Polarizability: 24.737164 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.531

Product Information

• Purity: 95+%