pyrimidine-5-carboximidamide

• ChemBase ID: 811012
• Molecular Formular: C5H6N4
• Molecular Mass: 122.12794
• Monoisotopic Mass: 122.05924621
• SMILES: c1(cncnc1)C(=N)N
• Canonical SMILES: NC(=N)c1cncnc1
• InChI: InChI=1S/C5H6N4/c6-5(7)4-1-8-3-9-2-4/h1-3H,(H3,6,7)
• InChIKey: KYPREUXQEYJYPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrimidine-5-carboximidamide
• IUPAC Traditional name: pyrimidine-5-carboximidamide
• Synonyms: PYRIMIDINE-5-CARBOXAMIDINE

Database IDs

• CAS Number: 690619-43-3

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.389721
• LogD (pH = 7.4): -2.388128
• Log P: -1.0297961
• Molar Refractivity: 44.3948 cm^3
• Polarizability: 12.250224 Å^3
• Polar Surface Area: 75.65 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%