4-hydrazinyl-6-methyl-2-(methylsulfanyl)pyrimidine

• ChemBase ID: 307773
• Molecular Formular: C6H10N4S
• Molecular Mass: 170.2354
• Monoisotopic Mass: 170.06261734
• SMILES: n1c(nc(cc1NN)C)SC
• Canonical SMILES: CSc1nc(NN)cc(n1)C
• InChI: InChI=1S/C6H10N4S/c1-4-3-5(10-7)9-6(8-4)11-2/h3H,7H2,1-2H3,(H,8,9,10)
• InChIKey: IICQWDJYVKCOTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-6-methyl-2-(methylsulfanyl)pyrimidine
• IUPAC Traditional name: 4-hydrazinyl-6-methyl-2-(methylsulfanyl)pyrimidine
• Synonyms: 4-hydrazino-6-methyl-2-(methylthio)pyrimidine

Database IDs

• CAS Number: 1980-54-7
• MDL Number: MFCD08691666

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.916818
• LogD (pH = 7.4): 1.4598117
• Log P: 1.474209
• Molar Refractivity: 50.0389 cm^3
• Polarizability: 17.78651 Å^3
• Polar Surface Area: 63.83 Å^2