2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(piperidin-3-yl)pyrimidin-4-amine

• ChemBase ID: 62975
• Molecular Formular: C14H19N5S
• Molecular Mass: 289.39916
• Monoisotopic Mass: 289.13611663
• SMILES: c1(Nc2nc(nc(c2)C2CNCCC2)C)ncc(s1)C
• Canonical SMILES: Cc1nc(cc(n1)C1CCCNC1)Nc1ncc(s1)C
• InChI: InChI=1S/C14H19N5S/c1-9-7-16-14(20-9)19-13-6-12(17-10(2)18-13)11-4-3-5-15-8-11/h6-7,11,15H,3-5,8H2,1-2H3,(H,16,17,18,19)
• InChIKey: MAZYDYYHKHVDJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(piperidin-3-yl)pyrimidin-4-amine
• IUPAC Traditional name: 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(piperidin-3-yl)pyrimidin-4-amine
• Synonyms: (2-Methyl-6-piperidin-3-yl-pyrimidin-4-yl)-(5-methyl-thiazol-2-yl)-amine

Database IDs

• MDL Number: MFCD21606217
• PubChem SID: 162028714
• PubChem CID: 66509319

CALCULATED PROPERTIES

• Acid pKa: 10.286199
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.5343171
• LogD (pH = 7.4): 0.54273105
• Log P: 2.4027436
• Molar Refractivity: 80.7535 cm^3
• Polarizability: 30.500713 Å^3
• Polar Surface Area: 62.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false