6-methyl-2-(morpholin-4-yl)-N-[2-(pyrrolidin-1-yl)ethyl]pyrimidin-4-amine

• ChemBase ID: 700691
• Molecular Formular: C15H25N5O
• Molecular Mass: 291.3919
• Monoisotopic Mass: 291.20591045
• SMILES: c1(nc(cc(n1)C)NCCN1CCCC1)N1CCOCC1
• Canonical SMILES: Cc1cc(NCCN2CCCC2)nc(n1)N1CCOCC1
• InChI: InChI=1S/C15H25N5O/c1-13-12-14(16-4-7-19-5-2-3-6-19)18-15(17-13)20-8-10-21-11-9-20/h12H,2-11H2,1H3,(H,16,17,18)
• InChIKey: QGWAIDSMLDXVJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(morpholin-4-yl)-N-[2-(pyrrolidin-1-yl)ethyl]pyrimidin-4-amine
• IUPAC Traditional name: 6-methyl-2-(morpholin-4-yl)-N-[2-(pyrrolidin-1-yl)ethyl]pyrimidin-4-amine
• Synonyms: 6-methyl-2-morpholin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -3.1994987
• LogD (pH = 7.4): -0.3417913
• Log P: 1.2411127
• Molar Refractivity: 86.8303 cm^3
• Polarizability: 31.75862 Å^3
• Polar Surface Area: 53.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.43
• LOG S: -2.39
• Polar Surface Area: 53.52 Å^2
• Rotatable Bonds: 5