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

• ChemBase ID: 62731
• Molecular Formular: C13H22N4
• Molecular Mass: 234.34058
• Monoisotopic Mass: 234.18444672
• SMILES: c1(nc(nc(c1)C1(CCNCC1)C)C)N(C)C
• Canonical SMILES: Cc1nc(cc(n1)C1(C)CCNCC1)N(C)C
• InChI: InChI=1S/C13H22N4/c1-10-15-11(9-12(16-10)17(3)4)13(2)5-7-14-8-6-13/h9,14H,5-8H2,1-4H3
• InChIKey: ROTRJAOHYHMCDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,2-trimethyl-6-(4-methylpiperidin-4-yl)pyrimidin-4-amine
• IUPAC Traditional name: N,N,2-trimethyl-6-(4-methylpiperidin-4-yl)pyrimidin-4-amine
• Synonyms: Dimethyl-[2-methyl-6-(4-methyl-piperidin-4-yl)-pyrimidin-4-yl]-amine

Database IDs

• MDL Number: MFCD18381787
• PubChem SID: 162028470
• PubChem CID: 66510026

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2338616
• LogD (pH = 7.4): -0.2861414
• Log P: 2.1903737
• Molar Refractivity: 71.6129 cm^3
• Polarizability: 26.889263 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false