4-chloro-2,6-dicyclopropylpyrimidine

• ChemBase ID: 240440
• Molecular Formular: C10H11ClN2
• Molecular Mass: 194.66074
• Monoisotopic Mass: 194.06107604
• SMILES: c1(nc(cc(n1)C1CC1)Cl)C1CC1
• Canonical SMILES: Clc1cc(nc(n1)C1CC1)C1CC1
• InChI: InChI=1S/C10H11ClN2/c11-9-5-8(6-1-2-6)12-10(13-9)7-3-4-7/h5-7H,1-4H2
• InChIKey: SRWQUYSMZJCDCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12032986
• PubChem SID: 164296350
• PubChem CID: 45788167

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0431356
• LogD (pH = 7.4): 3.043429
• Log P: 3.0434327
• Molar Refractivity: 52.6027 cm^3
• Polarizability: 19.920074 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.325

Product Information

• Purity: 95%