N''-(pyrimidin-2-yl)guanidine

• ChemBase ID: 803918
• Molecular Formular: C5H7N5
• Molecular Mass: 137.14258
• Monoisotopic Mass: 137.07014525
• SMILES: NC(=Nc1ncccn1)N
• Canonical SMILES: NC(=Nc1ncccn1)N
• InChI: InChI=1S/C5H7N5/c6-4(7)10-5-8-2-1-3-9-5/h1-3H,(H4,6,7,8,9,10)
• InChIKey: FRQBQBUHPNYTGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N''-(pyrimidin-2-yl)guanidine
• IUPAC Traditional name: N''-(pyrimidin-2-yl)guanidine
• Synonyms: (PYRIMIDIN-2-YL)GUANIDINE

Database IDs

• CAS Number: 90585-97-0

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.206037
• LogD (pH = 7.4): -1.7926091
• Log P: -0.6657996
• Molar Refractivity: 38.7427 cm^3
• Polarizability: 13.405956 Å^3
• Polar Surface Area: 90.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%