6-ethylpyrimidin-4-amine

• ChemBase ID: 309168
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1c(cc(nc1)CC)N
• Canonical SMILES: CCc1cc(N)ncn1
• InChI: InChI=1S/C6H9N3/c1-2-5-3-6(7)9-4-8-5/h3-4H,2H2,1H3,(H2,7,8,9)
• InChIKey: UOMLWNRTYQTWFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethylpyrimidin-4-amine
• IUPAC Traditional name: 6-ethylpyrimidin-4-amine
• Synonyms: 6-ETHYLPYRIMIDIN-4-AMINE; 6-ethyl-4-pyrimidinamine

Database IDs

• CAS Number: 856160-67-3
• MDL Number: MFCD09909798

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.024198106
• LogD (pH = 7.4): 0.6294013
• Log P: 0.64717305
• Molar Refractivity: 36.9546 cm^3
• Polarizability: 13.278526 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%