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

• ChemBase ID: 803877
• Molecular Formular: C8H14N4
• Molecular Mass: 166.22356
• Monoisotopic Mass: 166.12184647
• SMILES: C(Cc1cnc(nc1)N(C)C)N
• Canonical SMILES: NCCc1cnc(nc1)N(C)C
• InChI: InChI=1S/C8H14N4/c1-12(2)8-10-5-7(3-4-9)6-11-8/h5-6H,3-4,9H2,1-2H3
• InChIKey: ILPHCRZFMBJHEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-aminoethyl)-N,N-dimethylpyrimidin-2-amine
• IUPAC Traditional name: 5-(2-aminoethyl)-N,N-dimethylpyrimidin-2-amine
• Synonyms: 2-[2-(DIMETHYLAMINO)PYRIMIDIN-5-YL]ETHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.754066
• LogD (pH = 7.4): -1.984115
• Log P: 0.25099498
• Molar Refractivity: 50.3253 cm^3
• Polarizability: 18.49014 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%