methyl 4-methyl-2-(pyrrolidin-1-yl)pyrimidine-5-carboxylate

• ChemBase ID: 122620
• Molecular Formular: C11H15N3O2
• Molecular Mass: 221.2557
• Monoisotopic Mass: 221.11642674
• SMILES: c1(nc(c(C(=O)OC)cn1)C)N1CCCC1
• Canonical SMILES: COC(=O)c1cnc(nc1C)N1CCCC1
• InChI: InChI=1S/C11H15N3O2/c1-8-9(10(15)16-2)7-12-11(13-8)14-5-3-4-6-14/h7H,3-6H2,1-2H3
• InChIKey: LVZFFEYKLSDXFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-methyl-2-(pyrrolidin-1-yl)pyrimidine-5-carboxylate
• IUPAC Traditional name: methyl 4-methyl-2-(pyrrolidin-1-yl)pyrimidine-5-carboxylate
• Synonyms: methyl 4-methyl-2-(pyrrolidin-1-yl)pyrimidine-5-carboxylate

Database IDs

• PubChem SID: 162216973
• PubChem CID: 16490482

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3767974
• LogD (pH = 7.4): 1.3772048
• Log P: 1.3772099
• Molar Refractivity: 61.2547 cm^3
• Polarizability: 22.538107 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true