4-chloro-6-cyclopropylpyrimidine

• ChemBase ID: 309237
• Molecular Formular: C7H7ClN2
• Molecular Mass: 154.59688
• Monoisotopic Mass: 154.02977591
• SMILES: C1(c2cc(ncn2)Cl)CC1
• Canonical SMILES: Clc1ncnc(c1)C1CC1
• InChI: InChI=1S/C7H7ClN2/c8-7-3-6(5-1-2-5)9-4-10-7/h3-5H,1-2H2
• InChIKey: QQWGJFXERXLUHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-cyclopropylpyrimidine
• IUPAC Traditional name: 4-chloro-6-cyclopropylpyrimidine
• Synonyms: 4-chloro-6-cyclopropylpyrimidine

Database IDs

• CAS Number: 7038-76-8
• MDL Number: MFCD09861748

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7850531
• LogD (pH = 7.4): 1.7851229
• Log P: 1.7851237
• Molar Refractivity: 40.5791 cm^3
• Polarizability: 15.212505 Å^3
• Polar Surface Area: 25.78 Å^2