N,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 864156
• Molecular Formular: C12H13N5OS
• Molecular Mass: 275.32952
• Monoisotopic Mass: 275.08408106
• SMILES: c12nc(oc1ncnc2N(Cc1nc(cs1)C)C)C
• Canonical SMILES: Cc1csc(n1)CN(c1ncnc2c1nc(o2)C)C
• InChI: InChI=1S/C12H13N5OS/c1-7-5-19-9(15-7)4-17(3)11-10-12(14-6-13-11)18-8(2)16-10/h5-6H,4H2,1-3H3
• InChIKey: NJVGASBVZMKZEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• IUPAC Traditional name: N,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• Synonyms: N,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl][1,3]oxazolo[5,4-d]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1768419
• LogD (pH = 7.4): 1.1771814
• Log P: 1.1771858
• Molar Refractivity: 72.2623 cm^3
• Polarizability: 27.151424 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.22
• LOG S: -3.22
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 3