2-ethoxypyrimidin-5-amine

• ChemBase ID: 803767
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: c1(cnc(nc1)OCC)N
• Canonical SMILES: CCOc1ncc(cn1)N
• InChI: InChI=1S/C6H9N3O/c1-2-10-6-8-3-5(7)4-9-6/h3-4H,2,7H2,1H3
• InChIKey: KPNZINMQYGYLCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxypyrimidin-5-amine
• IUPAC Traditional name: 2-ethoxypyrimidin-5-amine
• Synonyms: 2-ETHOXY-5-PYRIMIDINAMINE

Database IDs

• CAS Number: 73418-86-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.09871308
• LogD (pH = 7.4): 0.09873197
• Log P: 0.09873221
• Molar Refractivity: 38.5805 cm^3
• Polarizability: 14.069712 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%