N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-4-(pyridin-2-yl)pyrimidin-2-amine

• ChemBase ID: 420425
• Molecular Formular: C19H19N5
• Molecular Mass: 317.38766
• Monoisotopic Mass: 317.16404563
• SMILES: c1(nc(c2ncccc2)ccn1)NC(C1CC1)c1nccc(c1)C
• Canonical SMILES: Cc1ccnc(c1)C(C1CC1)Nc1nccc(n1)c1ccccn1
• InChI: InChI=1S/C19H19N5/c1-13-7-10-21-17(12-13)18(14-5-6-14)24-19-22-11-8-16(23-19)15-4-2-3-9-20-15/h2-4,7-12,14,18H,5-6H2,1H3,(H,22,23,24)
• InChIKey: JAZOSFRYTQVHIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-4-(pyridin-2-yl)pyrimidin-2-amine
• IUPAC Traditional name: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-4-(pyridin-2-yl)pyrimidin-2-amine
• Synonyms: N-[cyclopropyl(4-methyl-2-pyridinyl)methyl]-4-(2-pyridinyl)-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.339476
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.4901352
• LogD (pH = 7.4): 3.4966962
• Log P: 3.4967806
• Molar Refractivity: 93.7594 cm^3
• Polarizability: 36.860565 Å^3
• Polar Surface Area: 63.59 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 1
• Log P: 2.09
• LOG S: -2.76
• Polar Surface Area: 63.59 Å^2