4-chloro-2-cyclopropylpyrimidine

• ChemBase ID: 273484
• Molecular Formular: C7H7ClN2
• Molecular Mass: 154.59688
• Monoisotopic Mass: 154.02977591
• SMILES: n1c(C2CC2)nccc1Cl
• Canonical SMILES: Clc1ccnc(n1)C1CC1
• InChI: InChI=1S/C7H7ClN2/c8-6-3-4-9-7(10-6)5-1-2-5/h3-5H,1-2H2
• InChIKey: GNRIZSOSSWDACM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-cyclopropylpyrimidine
• IUPAC Traditional name: 4-chloro-2-cyclopropylpyrimidine
• Synonyms: 4-chloro-2-cyclopropylpyrimidine

Database IDs

• MDL Number: MFCD11046849
• PubChem SID: 164329394
• PubChem CID: 24903713

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.127349
• LogD (pH = 7.4): 2.1275058
• Log P: 2.1275077
• Molar Refractivity: 40.612 cm^3
• Polarizability: 15.213884 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.382

Product Information

• Purity: 95%