4,6-dimethyl-2-(pyrrolidin-1-yl)pyrimidine

• ChemBase ID: 60925
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: c1(nc(cc(n1)C)C)N1CCCC1
• Canonical SMILES: Cc1nc(nc(c1)C)N1CCCC1
• InChI: InChI=1S/C10H15N3/c1-8-7-9(2)12-10(11-8)13-5-3-4-6-13/h7H,3-6H2,1-2H3
• InChIKey: QLQCSTAAXKJOMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-2-(pyrrolidin-1-yl)pyrimidine
• IUPAC Traditional name: 4,6-dimethyl-2-(pyrrolidin-1-yl)pyrimidine
• Synonyms: 4,6-Dimethyl-2-pyrrolidin-1-ylpyrimidine

Database IDs

• MDL Number: MFCD05884123
• PubChem SID: 162026666
• PubChem CID: 734466

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3874202
• LogD (pH = 7.4): 1.5033987
• Log P: 1.5051031
• Molar Refractivity: 53.8209 cm^3
• Polarizability: 19.839922 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false