5-(aminomethyl)pyrimidin-2-ol

• ChemBase ID: 803615
• Molecular Formular: C5H7N3O
• Molecular Mass: 125.12858
• Monoisotopic Mass: 125.05891186
• SMILES: c1(cnc(nc1)O)CN
• Canonical SMILES: NCc1cnc(nc1)O
• InChI: InChI=1S/C5H7N3O/c6-1-4-2-7-5(9)8-3-4/h2-3H,1,6H2,(H,7,8,9)
• InChIKey: YCAWUGBYRSXOPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)pyrimidin-2-ol
• IUPAC Traditional name: 5-(aminomethyl)pyrimidin-2-ol
• Synonyms: 5-(AMINOMETHYL)PYRIMIDIN-2-OL

CALCULATED PROPERTIES

• Acid pKa: 12.97856
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.315853
• LogD (pH = 7.4): -1.9153217
• Log P: -0.4492754
• Molar Refractivity: 33.1226 cm^3
• Polarizability: 12.535976 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%