(5-propylpyrimidin-2-yl)methanamine hydrochloride

• ChemBase ID: 815496
• Molecular Formular: C8H14ClN3
• Molecular Mass: 187.66986
• Monoisotopic Mass: 187.08762514
• SMILES: Cl.C(N)c1ncc(cn1)CCC
• Canonical SMILES: CCCc1cnc(nc1)CN.Cl
• InChI: InChI=1S/C8H13N3.ClH/c1-2-3-7-5-10-8(4-9)11-6-7;/h5-6H,2-4,9H2,1H3;1H
• InChIKey: ZTRZZWPVUKGQQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-propylpyrimidin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (5-propylpyrimidin-2-yl)methanamine hydrochloride
• Synonyms: (5-propylpyrimidin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1196145-36-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2206703
• LogD (pH = 7.4): 0.47676706
• Log P: 0.9855149
• Molar Refractivity: 44.9496 cm^3
• Polarizability: 17.352026 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%