5-chloro-2-(pyrrolidin-2-yl)pyrimidine

• ChemBase ID: 803656
• Molecular Formular: C8H10ClN3
• Molecular Mass: 183.6381
• Monoisotopic Mass: 183.05632502
• SMILES: c1(cnc(nc1)C1NCCC1)Cl
• Canonical SMILES: Clc1cnc(nc1)C1CCCN1
• InChI: InChI=1S/C8H10ClN3/c9-6-4-11-8(12-5-6)7-2-1-3-10-7/h4-5,7,10H,1-3H2
• InChIKey: USKFNALSRMYUJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(pyrrolidin-2-yl)pyrimidine
• IUPAC Traditional name: 5-chloro-2-(pyrrolidin-2-yl)pyrimidine
• Synonyms: 5-CHLORO-2-(PYRROLIDIN-2-YL)PYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5019155
• LogD (pH = 7.4): 0.2495814
• Log P: 1.1511039
• Molar Refractivity: 47.5721 cm^3
• Polarizability: 18.614704 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%