2-hydrazinyl-4-(5-methylfuran-2-yl)pyrimidine

• ChemBase ID: 309837
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: c1(oc(cc1)C)c1nc(ncc1)NN
• Canonical SMILES: NNc1nccc(n1)c1ccc(o1)C
• InChI: InChI=1S/C9H10N4O/c1-6-2-3-8(14-6)7-4-5-11-9(12-7)13-10/h2-5H,10H2,1H3,(H,11,12,13)
• InChIKey: GTZDLRYHECMOKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4-(5-methylfuran-2-yl)pyrimidine
• IUPAC Traditional name: 2-hydrazinyl-4-(5-methylfuran-2-yl)pyrimidine
• Synonyms: 2-hydrazino-4-(5-methyl-2-furyl)pyrimidine

Database IDs

• MDL Number: MFCD22575205

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.371073
• LogD (pH = 7.4): 1.4124914
• Log P: 1.4130478
• Molar Refractivity: 54.6798 cm^3
• Polarizability: 20.689846 Å^3
• Polar Surface Area: 76.97 Å^2