2-(methylamino)pyrimidine-5-carbonitrile

• ChemBase ID: 308459
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: c1(ncc(C#N)cn1)NC
• Canonical SMILES: CNc1ncc(cn1)C#N
• InChI: InChI=1S/C6H6N4/c1-8-6-9-3-5(2-7)4-10-6/h3-4H,1H3,(H,8,9,10)
• InChIKey: MCZXXEZSKWAWME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)pyrimidine-5-carbonitrile
• IUPAC Traditional name: 2-(methylamino)pyrimidine-5-carbonitrile
• Synonyms: 2-(methylamino)-5-pyrimidinecarbonitrile

Database IDs

• CAS Number: 5388-28-3
• MDL Number: MFCD11505292

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.057395324
• LogD (pH = 7.4): 0.057395786
• Log P: 0.057395793
• Molar Refractivity: 38.5837 cm^3
• Polarizability: 13.373048 Å^3
• Polar Surface Area: 61.6 Å^2