6-[Bis(Boc)amino]-4-chloro-2-methylpyrimidine - CAS 1350918-95-4

Name: 6-[Bis(Boc)amino]-4-chloro-2-methylpyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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