4-chloro-6-hydrazinyl-2-methylpyrimidine

• ChemBase ID: 278636
• Molecular Formular: C5H7ClN4
• Molecular Mass: 158.58888
• Monoisotopic Mass: 158.03592392
• SMILES: n1c(nc(cc1NN)Cl)C
• Canonical SMILES: NNc1cc(Cl)nc(n1)C
• InChI: InChI=1S/C5H7ClN4/c1-3-8-4(6)2-5(9-3)10-7/h2H,7H2,1H3,(H,8,9,10)
• InChIKey: FSVBHXYINVNNKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-hydrazinyl-2-methylpyrimidine
• IUPAC Traditional name: 4-chloro-6-hydrazinyl-2-methylpyrimidine
• Synonyms: 4-chloro-6-hydrazinyl-2-methylpyrimidine

Database IDs

• MDL Number: MFCD16769077
• PubChem SID: 164334546
• PubChem CID: 13590470

CALCULATED PROPERTIES

• Acid pKa: 19.219294
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9330141
• LogD (pH = 7.4): 1.367711
• Log P: 1.3774055
• Molar Refractivity: 43.233 cm^3
• Polarizability: 14.86251 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.384

Product Information

• Purity: 95%