2-(pyrrolidin-2-yl)pyrimidine

• ChemBase ID: 803648
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: c1cnc(nc1)C1NCCC1
• Canonical SMILES: C1CNC(C1)c1ncccn1
• InChI: InChI=1S/C8H11N3/c1-3-7(9-4-1)8-10-5-2-6-11-8/h2,5-7,9H,1,3-4H2
• InChIKey: ZSWGTTPYUUGGDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1261075
• LogD (pH = 7.4): -0.38130307
• Log P: 0.5869157
• Molar Refractivity: 42.7673 cm^3
• Polarizability: 16.69824 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%