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

• ChemBase ID: 115103
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: [nH]1c(nc(cc1=O)CC)NN
• Canonical SMILES: CCc1cc(=O)[nH]c(n1)NN
• InChI: InChI=1S/C6H10N4O/c1-2-4-3-5(11)9-6(8-4)10-7/h3H,2,7H2,1H3,(H2,8,9,10,11)
• InChIKey: WPIOYZBFXCKCMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11986380
• PubChem SID: 162100031
• PubChem CID: 33676512

CALCULATED PROPERTIES

• Acid pKa: 11.20324
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.41165993
• LogD (pH = 7.4): -0.29424497
• Log P: -0.29251006
• Molar Refractivity: 53.4685 cm^3
• Polarizability: 15.348129 Å^3
• Polar Surface Area: 79.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.834

Product Information

• Purity: 95+%