2-chloro-5-(cyclopropylmethoxy)pyrimidine

• ChemBase ID: 288961
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: Clc1ncc(OCC2CC2)cn1
• Canonical SMILES: Clc1ncc(cn1)OCC1CC1
• InChI: InChI=1S/C8H9ClN2O/c9-8-10-3-7(4-11-8)12-5-6-1-2-6/h3-4,6H,1-2,5H2
• InChIKey: ILLJCQSVKGFRHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(cyclopropylmethoxy)pyrimidine
• IUPAC Traditional name: 2-chloro-5-(cyclopropylmethoxy)pyrimidine
• Synonyms: 2-Chloro-5-(cyclopropylmethoxy)pyrimidine

Database IDs

• CAS Number: 169677-66-1
• MDL Number: MFCD20486232
• PubChem SID: 180674492
• PubChem CID: 53440618

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5811918
• LogD (pH = 7.4): 1.5811918
• Log P: 1.5811918
• Molar Refractivity: 46.6261 cm^3
• Polarizability: 17.892748 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%