2-hydrazinyl-6-phenyl-3,4-dihydropyrimidin-4-one

• ChemBase ID: 115106
• Molecular Formular: C10H10N4O
• Molecular Mass: 202.2126
• Monoisotopic Mass: 202.08546096
• SMILES: n1c([nH]c(=O)cc1c1ccccc1)NN
• Canonical SMILES: NNc1nc(cc(=O)[nH]1)c1ccccc1
• InChI: InChI=1S/C10H10N4O/c11-14-10-12-8(6-9(15)13-10)7-4-2-1-3-5-7/h1-6H,11H2,(H2,12,13,14,15)
• InChIKey: GOXIBEGWUVQEFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-6-phenyl-3,4-dihydropyrimidin-4-one
• IUPAC Traditional name: 2-hydrazinyl-6-phenyl-3H-pyrimidin-4-one
• Synonyms: 2-hydrazino-6-phenylpyrimidin-4(3{H})-one

Database IDs

• MDL Number: MFCD00847527
• PubChem SID: 162099740
• PubChem CID: 608705

CALCULATED PROPERTIES

• Acid pKa: 11.17358
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.18679959
• LogD (pH = 7.4): 0.2794217
• Log P: 0.28079936
• Molar Refractivity: 68.8085 cm^3
• Polarizability: 21.28801 Å^3
• Polar Surface Area: 79.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.353

Product Information

• Purity: 95+%