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

• ChemBase ID: 803863
• Molecular Formular: C10H15N3O3
• Molecular Mass: 225.2444
• Monoisotopic Mass: 225.11134136
• SMILES: C(Cc1nc(cc(n1)OC)C(=O)OCC)N
• Canonical SMILES: NCCc1nc(OC)cc(n1)C(=O)OCC
• InChI: InChI=1S/C10H15N3O3/c1-3-16-10(14)7-6-9(15-2)13-8(12-7)4-5-11/h6H,3-5,11H2,1-2H3
• InChIKey: QDAUIAMATYZLRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.4641464
• LogD (pH = 7.4): -1.2734376
• Log P: 0.6586674
• Molar Refractivity: 58.5844 cm^3
• Polarizability: 22.516727 Å^3
• Polar Surface Area: 87.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%