N,N,2-trimethyl-6-(4-methylpiperidin-4-yl)pyrimidine-4-carboxamide

• ChemBase ID: 62122
• Molecular Formular: C14H22N4O
• Molecular Mass: 262.35068
• Monoisotopic Mass: 262.17936134
• SMILES: c1(C(=O)N(C)C)nc(nc(c1)C1(CCNCC1)C)C
• Canonical SMILES: Cc1nc(cc(n1)C1(C)CCNCC1)C(=O)N(C)C
• InChI: InChI=1S/C14H22N4O/c1-10-16-11(13(19)18(3)4)9-12(17-10)14(2)5-7-15-8-6-14/h9,15H,5-8H2,1-4H3
• InChIKey: JSKNKWLJJZYTEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,2-trimethyl-6-(4-methylpiperidin-4-yl)pyrimidine-4-carboxamide
• IUPAC Traditional name: N,N,2-trimethyl-6-(4-methylpiperidin-4-yl)pyrimidine-4-carboxamide
• Synonyms: 2-Methyl-6-(4-methyl-piperidin-4-yl)-pyrimidine-4-carboxylic acid dimethylamide

Database IDs

• MDL Number: MFCD18381784
• PubChem SID: 162027861
• PubChem CID: 66510025

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.3335478
• LogD (pH = 7.4): -1.4555744
• Log P: 0.9975538
• Molar Refractivity: 75.3706 cm^3
• Polarizability: 28.597614 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false