N,5,6-trimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

• ChemBase ID: 709546
• Molecular Formular: C14H16N4OS
• Molecular Mass: 288.36804
• Monoisotopic Mass: 288.10448215
• SMILES: c12c(sc(c2C)C)ncnc1N(Cc1onc(c1)C)C
• Canonical SMILES: Cc1noc(c1)CN(c1ncnc2c1c(C)c(s2)C)C
• InChI: InChI=1S/C14H16N4OS/c1-8-5-11(19-17-8)6-18(4)13-12-9(2)10(3)20-14(12)16-7-15-13/h5,7H,6H2,1-4H3
• InChIKey: AKJUJBGSKWLLSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5,6-trimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N,5,6-trimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
• Synonyms: N,5,6-trimethyl-N-[(3-methylisoxazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2887871
• LogD (pH = 7.4): 3.295312
• Log P: 3.2953956
• Molar Refractivity: 81.3782 cm^3
• Polarizability: 29.746614 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.95
• LOG S: -3.82
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 3