N,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine

• ChemBase ID: 114591
• Molecular Formular: C12H20N4
• Molecular Mass: 220.314
• Monoisotopic Mass: 220.16879666
• SMILES: c1(nc(cc(n1)C)NC)N1CCC(CC1)C
• Canonical SMILES: CNc1cc(C)nc(n1)N1CCC(CC1)C
• InChI: InChI=1S/C12H20N4/c1-9-4-6-16(7-5-9)12-14-10(2)8-11(13-3)15-12/h8-9H,4-7H2,1-3H3,(H,13,14,15)
• InChIKey: BYSZSGVCMHMMOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
• IUPAC Traditional name: N,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
• Synonyms: N,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine

Database IDs

• MDL Number: MFCD21091718
• PubChem SID: 162100624
• PubChem CID: 56724745

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.3899812
• LogD (pH = 7.4): 1.6422513
• Log P: 2.1725564
• Molar Refractivity: 68.8863 cm^3
• Polarizability: 24.736736 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.492

Product Information

• Purity: 95+%