2-(pyrrolidin-3-yl)pyrimidine

• ChemBase ID: 803647
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: c1cnc(nc1)C1CNCC1
• Canonical SMILES: C1NCC(C1)c1ncccn1
• InChI: InChI=1S/C8H11N3/c1-3-10-8(11-4-1)7-2-5-9-6-7/h1,3-4,7,9H,2,5-6H2
• InChIKey: LPULOUDNRALULV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-3-yl)pyrimidine
• IUPAC Traditional name: 2-(pyrrolidin-3-yl)pyrimidine
• Synonyms: 2-(PYRROLIDIN-3-YL)PYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0594687
• LogD (pH = 7.4): -2.5399528
• Log P: 0.29665276
• Molar Refractivity: 43.0233 cm^3
• Polarizability: 16.62264 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%