6-[Bis(Boc)amino]-4-chloro-2-methylpyrimidine - CAS 1350918-95-4
Catalog: |
BB008077 |
Product Name: |
6-[Bis(Boc)amino]-4-chloro-2-methylpyrimidine |
CAS: |
1350918-95-4 |
Synonyms: |
N-(6-chloro-2-methyl-4-pyrimidinyl)-N-[(2-methylpropan-2-yl)oxy-oxomethyl]carbamic acid tert-butyl ester; tert-butyl N-(6-chloro-2-methylpyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate |
IUPAC Name: | tert-butyl N-(6-chloro-2-methylpyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate |
Description: | 6-[Bis(Boc)amino]-4-chloro-2-methylpyrimidine (CAS# 1350918-95-4) is a useful reactant for the preparation of thiazolopyridines as TYK2 inhibitors. |
Molecular Weight: | 343.81 |
Molecular Formula: | C15H22ClN3O4 |
Canonical SMILES: | CC1=NC(=CC(=N1)Cl)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C15H22ClN3O4/c1-9-17-10(16)8-11(18-9)19(12(20)22-14(2,3)4)13(21)23-15(5,6)7/h8H,1-7H3 |
InChI Key: | LMNHTSKUHWUCEH-UHFFFAOYSA-N |
MDL: | MFCD22199258 |
LogP: | 4.11500 |
Publication Number | Title | Priority Date |
EP-2640722-B1 | Pyrazolopyridines and their use as tyk2 inhibitors | 20101119 |
US-2013252941-A1 | Pyrazolopyridine compounds, compositions and methods of use | 20101119 |
US-9309240-B2 | Pyrazolopyridine compounds, compositions and methods of use | 20101119 |
WO-2012066061-A1 | Pyrazolopyridines and pyrazolopyridines and their use as tyk2 inhibitors | 20101119 |
Complexity: | 417 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.1298839 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.1298839 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 81.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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