6-cyclopropyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

• ChemBase ID: 671559
• Molecular Formular: C18H23N5
• Molecular Mass: 309.40872
• Monoisotopic Mass: 309.19534576
• SMILES: c1(cc(C2CC2)ncn1)NC1CCN(Cc2ncccc2)CC1
• Canonical SMILES: c1ccc(nc1)CN1CCC(CC1)Nc1ncnc(c1)C1CC1
• InChI: InChI=1S/C18H23N5/c1-2-8-19-16(3-1)12-23-9-6-15(7-10-23)22-18-11-17(14-4-5-14)20-13-21-18/h1-3,8,11,13-15H,4-7,9-10,12H2,(H,20,21,22)
• InChIKey: FBFMMLDYQZKAGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-cyclopropyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
• IUPAC Traditional name: 6-cyclopropyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
• Synonyms: 6-cyclopropyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.31307
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.38489854
• LogD (pH = 7.4): 1.4214218
• Log P: 1.6432163
• Molar Refractivity: 92.6049 cm^3
• Polarizability: 34.933136 Å^3
• Polar Surface Area: 53.94 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: 1.91
• LOG S: -0.49
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 5