N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-1-carboximidamide

• ChemBase ID: 61220
• Molecular Formular: C16H19N5
• Molecular Mass: 281.35556
• Monoisotopic Mass: 281.16404563
• SMILES: c1c(nc(nc1C)NC(=N)N1CCCc2c1cccc2)C
• Canonical SMILES: N=C(N1CCCc2c1cccc2)Nc1nc(C)cc(n1)C
• InChI: InChI=1S/C16H19N5/c1-11-10-12(2)19-16(18-11)20-15(17)21-9-5-7-13-6-3-4-8-14(13)21/h3-4,6,8,10H,5,7,9H2,1-2H3,(H2,17,18,19,20)
• InChIKey: WUZSHWPKXOJSKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-1-carboximidamide
• IUPAC Traditional name: N-(4,6-dimethylpyrimidin-2-yl)-3,4-dihydro-2H-quinoline-1-carboximidamide
• Synonyms: N-(4,6-Dimethylpyrimidin-2-yl)-3,4-dihydroquinoline-1(2H)-carboximidamide

Database IDs

• MDL Number: MFCD01954539
• PubChem SID: 162026961
• PubChem CID: 5728927

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.5999888
• LogD (pH = 7.4): 2.725324
• Log P: 2.8047225
• Molar Refractivity: 96.4635 cm^3
• Polarizability: 31.217693 Å^3
• Polar Surface Area: 64.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false