6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

• ChemBase ID: 114563
• Molecular Formular: C11H18N4
• Molecular Mass: 206.28742
• Monoisotopic Mass: 206.1531466
• SMILES: c1(nc(cc(n1)C)N)N1CC(CCC1)C
• Canonical SMILES: CC1CCCN(C1)c1nc(C)cc(n1)N
• InChI: InChI=1S/C11H18N4/c1-8-4-3-5-15(7-8)11-13-9(2)6-10(12)14-11/h6,8H,3-5,7H2,1-2H3,(H2,12,13,14)
• InChIKey: ZLCOLYZZUBARLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
• IUPAC Traditional name: 6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
• Synonyms: 6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

Database IDs

• MDL Number: MFCD21091695
• PubChem SID: 162099465
• PubChem CID: 56724722

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.14188486
• LogD (pH = 7.4): 1.3575078
• Log P: 1.948806
• Molar Refractivity: 63.3159 cm^3
• Polarizability: 22.896133 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.173

Product Information

• Purity: 95+%