4-chloro-5,6-dimethyl-2-(pyrrolidin-1-yl)pyrimidine

• ChemBase ID: 307458
• Molecular Formular: C10H14ClN3
• Molecular Mass: 211.69126
• Monoisotopic Mass: 211.08762514
• SMILES: n1c(nc(c(c1Cl)C)C)N1CCCC1
• Canonical SMILES: Cc1nc(nc(c1C)Cl)N1CCCC1
• InChI: InChI=1S/C10H14ClN3/c1-7-8(2)12-10(13-9(7)11)14-5-3-4-6-14/h3-6H2,1-2H3
• InChIKey: IAQXQKOQYBKGGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5,6-dimethyl-2-(pyrrolidin-1-yl)pyrimidine
• IUPAC Traditional name: 4-chloro-5,6-dimethyl-2-(pyrrolidin-1-yl)pyrimidine
• Synonyms: 4-chloro-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine

Database IDs

• CAS Number: 915922-96-2
• MDL Number: MFCD08059997

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7066576
• LogD (pH = 7.4): 2.7113166
• Log P: 2.7113762
• Molar Refractivity: 60.1367 cm^3
• Polarizability: 21.79362 Å^3
• Polar Surface Area: 29.02 Å^2