4,6-dichloro-2-cyclopropyl-5-methylpyrimidine

• ChemBase ID: 283336
• Molecular Formular: C8H8Cl2N2
• Molecular Mass: 203.06852
• Monoisotopic Mass: 202.00645363
• SMILES: n1c(nc(c(c1Cl)C)Cl)C1CC1
• Canonical SMILES: Cc1c(Cl)nc(nc1Cl)C1CC1
• InChI: InChI=1S/C8H8Cl2N2/c1-4-6(9)11-8(5-2-3-5)12-7(4)10/h5H,2-3H2,1H3
• InChIKey: AEKXEKPMZIZYLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine
• IUPAC Traditional name: 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine
• Synonyms: 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine

Database IDs

• MDL Number: MFCD18844042
• PubChem SID: 180668867
• PubChem CID: 54595731

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4849024
• LogD (pH = 7.4): 3.4849026
• Log P: 3.4849026
• Molar Refractivity: 51.5193 cm^3
• Polarizability: 18.966024 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.608

Product Information

• Purity: 95%