N,3,6-trimethyl-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

• ChemBase ID: 355319
• Molecular Formular: C15H19N5OS
• Molecular Mass: 317.40926
• Monoisotopic Mass: 317.13103125
• SMILES: c1(c2c(nc(n1)C)onc2C)N(Cc1nc(sc1)C(C)C)C
• Canonical SMILES: Cc1nc2onc(c2c(n1)N(Cc1csc(n1)C(C)C)C)C
• InChI: InChI=1S/C15H19N5OS/c1-8(2)15-18-11(7-22-15)6-20(5)13-12-9(3)19-21-14(12)17-10(4)16-13/h7-8H,6H2,1-5H3
• InChIKey: VYJZUJVHPVVMAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,3,6-trimethyl-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• Synonyms: N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N,3,6-trimethylisoxazolo[5,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.3586857
• LogD (pH = 7.4): 3.3593876
• Log P: 3.3593965
• Molar Refractivity: 87.3435 cm^3
• Polarizability: 32.57383 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.65
• LOG S: -2.92
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 4