2-{4-[1-(morpholin-4-yl)ethyl]piperidin-1-yl}pyrimidin-4-amine

• ChemBase ID: 666817
• Molecular Formular: C15H25N5O
• Molecular Mass: 291.3919
• Monoisotopic Mass: 291.20591045
• SMILES: n1c(N2CCC(C(N3CCOCC3)C)CC2)nccc1N
• Canonical SMILES: CC(N1CCOCC1)C1CCN(CC1)c1nccc(n1)N
• InChI: InChI=1S/C15H25N5O/c1-12(19-8-10-21-11-9-19)13-3-6-20(7-4-13)15-17-5-2-14(16)18-15/h2,5,12-13H,3-4,6-11H2,1H3,(H2,16,17,18)
• InChIKey: FQZUNPIWSHIGQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[1-(morpholin-4-yl)ethyl]piperidin-1-yl}pyrimidin-4-amine
• IUPAC Traditional name: 2-{4-[1-(morpholin-4-yl)ethyl]piperidin-1-yl}pyrimidin-4-amine
• Synonyms: 2-{4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}-4-pyrimidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.5600104
• LogD (pH = 7.4): 0.19900624
• Log P: 1.2875783
• Molar Refractivity: 85.8732 cm^3
• Polarizability: 31.836287 Å^3
• Polar Surface Area: 67.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.72
• LOG S: -1.79
• Polar Surface Area: 67.51 Å^2
• Rotatable Bonds: 3