2-hydrazinyl-4-(3-methoxyphenyl)pyrimidine

• ChemBase ID: 309853
• Molecular Formular: C11H12N4O
• Molecular Mass: 216.23918
• Monoisotopic Mass: 216.10111102
• SMILES: n1c(nccc1c1cc(OC)ccc1)NN
• Canonical SMILES: COc1cccc(c1)c1ccnc(n1)NN
• InChI: InChI=1S/C11H12N4O/c1-16-9-4-2-3-8(7-9)10-5-6-13-11(14-10)15-12/h2-7H,12H2,1H3,(H,13,14,15)
• InChIKey: RLXITMZZDRZBDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4-(3-methoxyphenyl)pyrimidine
• IUPAC Traditional name: 2-hydrazinyl-4-(3-methoxyphenyl)pyrimidine
• Synonyms: 2-hydrazino-4-(3-methoxyphenyl)pyrimidine

Database IDs

• MDL Number: MFCD15204060

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.6520388
• LogD (pH = 7.4): 1.9887539
• Log P: 1.9955685
• Molar Refractivity: 63.6024 cm^3
• Polarizability: 24.577158 Å^3
• Polar Surface Area: 73.06 Å^2