2-(2,6-dimethylpyrimidin-4-yl)ethan-1-amine

• ChemBase ID: 262749
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1c(nc(cc1CCN)C)C
• Canonical SMILES: NCCc1cc(C)nc(n1)C
• InChI: InChI=1S/C8H13N3/c1-6-5-8(3-4-9)11-7(2)10-6/h5H,3-4,9H2,1-2H3
• InChIKey: NFEMNTBWTUVWOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylpyrimidin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2,6-dimethylpyrimidin-4-yl)ethanamine
• Synonyms: 2-(2,6-dimethylpyrimidin-4-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD11574364
• PubChem SID: 164318659
• PubChem CID: 28908817

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9261272
• LogD (pH = 7.4): -1.8990443
• Log P: 0.23746565
• Molar Refractivity: 44.5888 cm^3
• Polarizability: 17.196392 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.023

Product Information

• Purity: 95%