N-methylpyrimidin-5-amine

• ChemBase ID: 802363
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: c1(cncnc1)NC
• Canonical SMILES: CNc1cncnc1
• InChI: InChI=1S/C5H7N3/c1-6-5-2-7-4-8-3-5/h2-4,6H,1H3
• InChIKey: XGFYAAUZMZFRRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylpyrimidin-5-amine
• IUPAC Traditional name: N-methylpyrimidin-5-amine
• Synonyms: 5-PYRIMIDINAMINE, N-METHYL-

Database IDs

• CAS Number: 40492-24-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.47759765
• LogD (pH = 7.4): -0.4774878
• Log P: -0.4774864
• Molar Refractivity: 32.9161 cm^3
• Polarizability: 11.522314 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%