ethyl 2-(aminomethyl)-6-methoxypyrimidine-4-carboxylate

• ChemBase ID: 803818
• Molecular Formular: C9H13N3O3
• Molecular Mass: 211.21782
• Monoisotopic Mass: 211.09569129
• SMILES: C(N)c1nc(cc(n1)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cc(OC)nc(n1)CN
• InChI: InChI=1S/C9H13N3O3/c1-3-15-9(13)6-4-8(14-2)12-7(5-10)11-6/h4H,3,5,10H2,1-2H3
• InChIKey: GDKIRUVVMDQQLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(aminomethyl)-6-methoxypyrimidine-4-carboxylate
• IUPAC Traditional name: ethyl 2-(aminomethyl)-6-methoxypyrimidine-4-carboxylate
• Synonyms: [4-(ETHOXYCARBONYL)-6-METHOXYPYRIMIDIN-2-YL]METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.6487019
• LogD (pH = 7.4): 0.024884298
• Log P: 0.467887
• Molar Refractivity: 53.885 cm^3
• Polarizability: 20.759752 Å^3
• Polar Surface Area: 87.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%