ethyl 2-cyclopropylpyrimidine-5-carboxylate

• ChemBase ID: 180172
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: c1(ncc(C(=O)OCC)cn1)C1CC1
• Canonical SMILES: CCOC(=O)c1cnc(nc1)C1CC1
• InChI: InChI=1S/C10H12N2O2/c1-2-14-10(13)8-5-11-9(12-6-8)7-3-4-7/h5-7H,2-4H2,1H3
• InChIKey: YIOGULAORUQCBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-cyclopropylpyrimidine-5-carboxylate
• IUPAC Traditional name: ethyl 2-cyclopropylpyrimidine-5-carboxylate
• Synonyms: Ethyl 2-cyclopropylpyrimidine-5-carboxylate

Database IDs

• CAS Number: 648423-77-2
• PubChem SID: 164236082
• PubChem CID: 24903622

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6751702
• LogD (pH = 7.4): 1.6751732
• Log P: 1.6751733
• Molar Refractivity: 51.5198 cm^3
• Polarizability: 19.549967 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true