4-chloro-2,5,6-trimethylpyrimidine

• ChemBase ID: 282960
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: n1c(c(c(nc1C)C)C)Cl
• Canonical SMILES: Cc1nc(C)c(c(n1)Cl)C
• InChI: InChI=1S/C7H9ClN2/c1-4-5(2)9-6(3)10-7(4)8/h1-3H3
• InChIKey: DIZOLBAICJZMSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,5,6-trimethylpyrimidine
• IUPAC Traditional name: 4-chloro-2,5,6-trimethylpyrimidine
• Synonyms: 4-chloro-2,5,6-trimethylpyrimidine

Database IDs

• MDL Number: MFCD12775381
• PubChem SID: 180668491
• PubChem CID: 12600391

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1115863
• LogD (pH = 7.4): 2.1128294
• Log P: 2.1128454
• Molar Refractivity: 42.8455 cm^3
• Polarizability: 15.781019 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.886

Product Information

• Purity: 95%