2-(2-aminoethyl)-N,N-dimethylpyrimidin-5-amine

• ChemBase ID: 803855
• Molecular Formular: C8H14N4
• Molecular Mass: 166.22356
• Monoisotopic Mass: 166.12184647
• SMILES: c1(cnc(nc1)CCN)N(C)C
• Canonical SMILES: NCCc1ncc(cn1)N(C)C
• InChI: InChI=1S/C8H14N4/c1-12(2)7-5-10-8(3-4-9)11-6-7/h5-6H,3-4,9H2,1-2H3
• InChIKey: WBEGNMDULWOFQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-N,N-dimethylpyrimidin-5-amine
• IUPAC Traditional name: 2-(2-aminoethyl)-N,N-dimethylpyrimidin-5-amine
• Synonyms: 2-(2-AMINOETHYL)-N,N-DIMETHYLPYRIMIDIN-5-AMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1080632
• LogD (pH = 7.4): -2.028175
• Log P: 0.038414117
• Molar Refractivity: 49.8344 cm^3
• Polarizability: 18.49144 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%