N,6-dimethyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine

• ChemBase ID: 114588
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: c1(nc(cc(n1)C)NC)N1CCCC1
• Canonical SMILES: CNc1cc(C)nc(n1)N1CCCC1
• InChI: InChI=1S/C10H16N4/c1-8-7-9(11-2)13-10(12-8)14-5-3-4-6-14/h7H,3-6H2,1-2H3,(H,11,12,13)
• InChIKey: WSONPTPGHUTXEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
• IUPAC Traditional name: N,6-dimethyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
• Synonyms: N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD16690628
• PubChem SID: 162099582
• PubChem CID: 56828609

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.3416621
• LogD (pH = 7.4): 0.9105366
• Log P: 1.4409686
• Molar Refractivity: 59.7367 cm^3
• Polarizability: 21.055592 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.692

Product Information

• Purity: 95+%