6-(2,2,2-Trifluoroethyl)thieno[2,3-d]pyrimidin-4(3H)-one - CAS 1628317-84-9
Catalog: |
BB011911 |
Product Name: |
6-(2,2,2-Trifluoroethyl)thieno[2,3-d]pyrimidin-4(3H)-one |
CAS: |
1628317-84-9 |
Synonyms: |
6-(2,2,2-trifluoroethyl)-3H-thieno[2,3-d]pyrimidin-4-one; 6-(2,2,2-trifluoroethyl)-3H-thieno[2,3-d]pyrimidin-4-one |
IUPAC Name: | 6-(2,2,2-trifluoroethyl)-3H-thieno[2,3-d]pyrimidin-4-one |
Description: | 6-(2,2,2-Trifluoroethyl)thieno[2,3-d]pyrimidin-4(3H)-one (CAS# 1628317-84-9 ) is a useful research chemical. |
Molecular Weight: | 234.20 |
Molecular Formula: | C8H5F3N2OS |
Canonical SMILES: | C1=C(SC2=C1C(=O)NC=N2)CC(F)(F)F |
InChI: | InChI=1S/C8H5F3N2OS/c9-8(10,11)2-4-1-5-6(14)12-3-13-7(5)15-4/h1,3H,2H2,(H,12,13,14) |
InChI Key: | MPAWLCWXJREENO-UHFFFAOYSA-N |
MDL: | MFCD28506296 |
LogP: | 2.08940 |
Publication Number | Title | Priority Date |
WO-2018106818-A1 | Methods of promoting beta cell proliferation | 20161207 |
AU-2016378579-A1 | Inhibitors of the menin-MLL interaction | 20151222 |
CA-3005945-A1 | Inhibitors of the menin-mll interaction | 20151222 |
CN-108779116-A | The inhibitor of Multiple Endocrine tumor albumen-MLL interactions | 20151222 |
EP-3394064-A1 | Inhibitors of the menin-mll interaction | 20151222 |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.00746845 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.00746845 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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