4-ethylpyrimidin-2-amine hydrochloride

• ChemBase ID: 55772
• Molecular Formular: C6H10ClN3
• Molecular Mass: 159.6167
• Monoisotopic Mass: 159.05632502
• SMILES: c1(nc(ccn1)CC)N.Cl
• Canonical SMILES: CCc1ccnc(n1)N.Cl
• InChI: InChI=1S/C6H9N3.ClH/c1-2-5-3-4-8-6(7)9-5;/h3-4H,2H2,1H3,(H2,7,8,9);1H
• InChIKey: YPODSAFERGWGFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylpyrimidin-2-amine hydrochloride
• IUPAC Traditional name: 4-ethylpyrimidin-2-amine hydrochloride
• Synonyms: 4-Ethylpyrimidin-2-amine hydrochloride

Database IDs

• MDL Number: MFCD19103379
• PubChem SID: 162060535
• PubChem CID: 56773746

CALCULATED PROPERTIES

• Log P: 0.7315015
• Molar Refractivity: 36.5871 cm^3
• Polarizability: 13.282672 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 16.79523
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6983669
• LogD (pH = 7.4): 0.7310673

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false