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

• ChemBase ID: 724817
• Molecular Formular: C12H16N4OS
• Molecular Mass: 264.34664
• Monoisotopic Mass: 264.10448215
• SMILES: n1c(nccc1OCC)NCCc1c(ncs1)C
• Canonical SMILES: CCOc1ccnc(n1)NCCc1scnc1C
• InChI: InChI=1S/C12H16N4OS/c1-3-17-11-5-7-14-12(16-11)13-6-4-10-9(2)15-8-18-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14,16)
• InChIKey: BZLFLKVWIIVQFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.245117
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.8579654
• LogD (pH = 7.4): 1.9296331
• Log P: 1.9306306
• Molar Refractivity: 73.4494 cm^3
• Polarizability: 26.806107 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.87
• LOG S: -3.58
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6