[2-(pyrrolidin-1-yl)pyrimidin-5-yl]methanamine

• ChemBase ID: 803605
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: C(N)c1cnc(nc1)N1CCCC1
• Canonical SMILES: NCc1cnc(nc1)N1CCCC1
• InChI: InChI=1S/C9H14N4/c10-5-8-6-11-9(12-7-8)13-3-1-2-4-13/h6-7H,1-5,10H2
• InChIKey: OMDSJLYCWZSWPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(pyrrolidin-1-yl)pyrimidin-5-yl]methanamine
• IUPAC Traditional name: [2-(pyrrolidin-1-yl)pyrimidin-5-yl]methanamine
• Synonyms: 1-(2-PYRROLIDIN-1-YLPYRIMIDIN-5-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.5315623
• LogD (pH = 7.4): -1.2049258
• Log P: 0.36813125
• Molar Refractivity: 53.1113 cm^3
• Polarizability: 19.67778 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%