4-chloro-5,6-dimethyl-2-(pyridin-2-yl)pyrimidine

• ChemBase ID: 271054
• Molecular Formular: C11H10ClN3
• Molecular Mass: 219.6702
• Monoisotopic Mass: 219.05632502
• SMILES: n1c(nc(c(c1Cl)C)C)c1ncccc1
• Canonical SMILES: Cc1nc(nc(c1C)Cl)c1ccccn1
• InChI: InChI=1S/C11H10ClN3/c1-7-8(2)14-11(15-10(7)12)9-5-3-4-6-13-9/h3-6H,1-2H3
• InChIKey: BDZNLKLHMMORIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5,6-dimethyl-2-(pyridin-2-yl)pyrimidine
• IUPAC Traditional name: 4-chloro-5,6-dimethyl-2-(pyridin-2-yl)pyrimidine
• Synonyms: 4-chloro-5,6-dimethyl-2-(pyridin-2-yl)pyrimidine

Database IDs

• MDL Number: MFCD12775388
• PubChem SID: 164326964
• PubChem CID: 50987619

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.10947
• LogD (pH = 7.4): 3.1095302
• Log P: 3.109531
• Molar Refractivity: 71.1033 cm^3
• Polarizability: 23.384699 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.285

Product Information

• Purity: 95%