2-hydrazinyl-5,6-dimethyl-3,4-dihydropyrimidin-4-one

• ChemBase ID: 115104
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: [nH]1c(=O)c(c(nc1NN)C)C
• Canonical SMILES: NNc1nc(C)c(c(=O)[nH]1)C
• InChI: InChI=1S/C6H10N4O/c1-3-4(2)8-6(10-7)9-5(3)11/h7H2,1-2H3,(H2,8,9,10,11)
• InChIKey: WEEFTXRIKBLVTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-5,6-dimethyl-3,4-dihydropyrimidin-4-one
• IUPAC Traditional name: 2-hydrazinyl-5,6-dimethyl-3H-pyrimidin-4-one
• Synonyms: 2-hydrazino-5,6-dimethylpyrimidin-4(3{H})-one

Database IDs

• MDL Number: MFCD16631645
• PubChem SID: 162099739
• PubChem CID: 13979892

CALCULATED PROPERTIES

• Acid pKa: 11.159637
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.533359
• LogD (pH = 7.4): -0.42114586
• Log P: -0.419482
• Molar Refractivity: 53.3016 cm^3
• Polarizability: 15.348129 Å^3
• Polar Surface Area: 79.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -1.052

Product Information

• Purity: 95+%