5-Bromo-4-chloro-6-methyl-2-(methylthio)pyrimidine - CAS 17119-74-3
Catalog: |
BB012727 |
Product Name: |
5-Bromo-4-chloro-6-methyl-2-(methylthio)pyrimidine |
CAS: |
17119-74-3 |
Synonyms: |
5-bromo-4-chloro-6-methyl-2-(methylthio)pyrimidine; 5-bromo-4-chloro-6-methyl-2-methylsulfanylpyrimidine |
IUPAC Name: | 5-bromo-4-chloro-6-methyl-2-methylsulfanylpyrimidine |
Description: | 5-Bromo-4-chloro-6-methyl-2-(methylthio)pyrimidine (CAS# 17119-74-3) is a useful research chemical. |
Molecular Weight: | 253.55 |
Molecular Formula: | C6H6BrClN2S |
Canonical SMILES: | CC1=C(C(=NC(=N1)SC)Cl)Br |
InChI: | InChI=1S/C6H6BrClN2S/c1-3-4(7)5(8)10-6(9-3)11-2/h1-2H3 |
InChI Key: | HAEVAPWVIGZOMO-UHFFFAOYSA-N |
Boiling Point: | 328.6 °C at 760 mmHg |
Density: | 1.73 g/cm3 |
LogP: | 2.92280 |
Publication Number | Title | Priority Date |
WO-2020239999-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
US-2021300918-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.91236 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.91236 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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