2,4-dichloro-5-cyclopropylpyrimidine

• ChemBase ID: 245383
• Molecular Formular: C7H6Cl2N2
• Molecular Mass: 189.04194
• Monoisotopic Mass: 187.99080356
• SMILES: n1c(c(C2CC2)cnc1Cl)Cl
• Canonical SMILES: Clc1ncc(c(n1)Cl)C1CC1
• InChI: InChI=1S/C7H6Cl2N2/c8-6-5(4-1-2-4)3-10-7(9)11-6/h3-4H,1-2H2
• InChIKey: KKSKKVUKDFJQMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-5-cyclopropylpyrimidine
• IUPAC Traditional name: 2,4-dichloro-5-cyclopropylpyrimidine
• Synonyms: 2,4-dichloro-5-cyclopropylpyrimidine

Database IDs

• MDL Number: MFCD18533532
• PubChem SID: 164301293
• PubChem CID: 55270783

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5637908
• LogD (pH = 7.4): 2.5637908
• Log P: 2.5637908
• Molar Refractivity: 46.4756 cm^3
• Polarizability: 17.271698 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.109

Product Information

• Purity: 95%