N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indole-1-carboximidamide

• ChemBase ID: 61221
• Molecular Formular: C15H17N5
• Molecular Mass: 267.32898
• Monoisotopic Mass: 267.14839557
• SMILES: c1c(nc(nc1C)NC(=N)N1CCc2c1cccc2)C
• Canonical SMILES: N=C(N1CCc2c1cccc2)Nc1nc(C)cc(n1)C
• InChI: InChI=1S/C15H17N5/c1-10-9-11(2)18-15(17-10)19-14(16)20-8-7-12-5-3-4-6-13(12)20/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,19)
• InChIKey: NLENUXQYGCDSNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indole-1-carboximidamide
• IUPAC Traditional name: N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-1-carboximidamide
• Synonyms: N-(4,6-Dimethylpyrimidin-2-yl)indoline-1-carboximidamide

Database IDs

• MDL Number: MFCD01415226
• PubChem SID: 162026962
• PubChem CID: 9567958

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.3012255
• LogD (pH = 7.4): 2.3043723
• Log P: 2.360154
• Molar Refractivity: 91.8625 cm^3
• Polarizability: 29.374846 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