N,N,4-trimethyl-6-{3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrimidin-2-amine

• ChemBase ID: 465077
• Molecular Formular: C19H25N7S
• Molecular Mass: 383.5137
• Monoisotopic Mass: 383.18921484
• SMILES: n1c(nc(cc1N1CC(c2n(Cc3ncsc3)ccn2)CCC1)C)N(C)C
• Canonical SMILES: Cc1cc(nc(n1)N(C)C)N1CCCC(C1)c1nccn1Cc1cscn1
• InChI: InChI=1S/C19H25N7S/c1-14-9-17(23-19(22-14)24(2)3)25-7-4-5-15(10-25)18-20-6-8-26(18)11-16-12-27-13-21-16/h6,8-9,12-13,15H,4-5,7,10-11H2,1-3H3
• InChIKey: BTEMXEBTOGPLKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,4-trimethyl-6-{3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrimidin-2-amine
• IUPAC Traditional name: N,N,4-trimethyl-6-{3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl}pyrimidin-2-amine
• Synonyms: N,N,4-trimethyl-6-{3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.118122675
• LogD (pH = 7.4): 2.2107904
• Log P: 2.789055
• Molar Refractivity: 109.6637 cm^3
• Polarizability: 40.213318 Å^3
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.05
• LOG S: -3.75
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 5