4-cyclopropyl-6-(difluoromethyl)-2-hydrazinylpyrimidine

• ChemBase ID: 28374
• Molecular Formular: C8H10F2N4
• Molecular Mass: 200.1886064
• Monoisotopic Mass: 200.08735278
• SMILES: c1(nc(C2CC2)cc(n1)C(F)F)NN
• Canonical SMILES: NNc1nc(cc(n1)C1CC1)C(F)F
• InChI: InChI=1S/C8H10F2N4/c9-7(10)6-3-5(4-1-2-4)12-8(13-6)14-11/h3-4,7H,1-2,11H2,(H,12,13,14)
• InChIKey: KAUDBIDUNQLYCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropyl-6-(difluoromethyl)-2-hydrazinylpyrimidine
• IUPAC Traditional name: 4-cyclopropyl-6-(difluoromethyl)-2-hydrazinylpyrimidine
• Synonyms: 4-Cyclopropyl-6-(difluoromethyl)-2-hydrazinopyrimidine

Database IDs

• MDL Number: MFCD05861786
• PubChem SID: 160991681
• PubChem CID: 7018707

CALCULATED PROPERTIES

• Acid pKa: 15.313383
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4493927
• LogD (pH = 7.4): 1.571024
• Log P: 1.5773746
• Molar Refractivity: 49.096 cm^3
• Polarizability: 17.248312 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false