5-ethyl-N,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine

• ChemBase ID: 602938
• Molecular Formular: C14H20N4S
• Molecular Mass: 276.4004
• Monoisotopic Mass: 276.14086766
• SMILES: c1(nc(ncc1CC)C)N(CCc1c(ncs1)C)C
• Canonical SMILES: CCc1cnc(nc1N(CCc1scnc1C)C)C
• InChI: InChI=1S/C14H20N4S/c1-5-12-8-15-11(3)17-14(12)18(4)7-6-13-10(2)16-9-19-13/h8-9H,5-7H2,1-4H3
• InChIKey: KNQDPMSBXWHZCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine
• IUPAC Traditional name: 5-ethyl-N,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine
• Synonyms: 5-ethyl-N,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5505548
• LogD (pH = 7.4): 3.211182
• Log P: 3.2323256
• Molar Refractivity: 80.793 cm^3
• Polarizability: 29.619495 Å^3
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.01
• LOG S: -3.79
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 5