2-(pyrimidin-2-yl)ethan-1-amine

• ChemBase ID: 246364
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: c1(ncccn1)CCN
• Canonical SMILES: NCCc1ncccn1
• InChI: InChI=1S/C6H9N3/c7-3-2-6-8-4-1-5-9-6/h1,4-5H,2-3,7H2
• InChIKey: DKJOQBMLNGUEFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrimidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(pyrimidin-2-yl)ethanamine
• Synonyms: 2-(pyrimidin-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD09924429
• PubChem SID: 164302274
• PubChem CID: 20407055

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2961679
• LogD (pH = 7.4): -2.14519
• Log P: -0.16399005
• Molar Refractivity: 35.4058 cm^3
• Polarizability: 13.668376 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.021

Product Information

• Purity: 95%