Methyl 4-(4-Chloro-6-methyl-2-pyrimidinyl)-1-methoxycyclohexanecarboxylate - CAS 2097133-31-6

Catalog:	BB076013
Product Name:	Methyl 4-(4-Chloro-6-methyl-2-pyrimidinyl)-1-methoxycyclohexanecarboxylate
CAS:	2097133-31-6
Synonyms:	Cyclohexanecarboxyli c acid, 4- (4- chloro- 6- methyl- 2- pyrimidinyl) - 1- methoxy- , methyl ester

Technical Data

IUPAC Name:	methyl 4-(4-chloro-6-methylpyrimidin-2-yl)-1-methoxycyclohexane-1-carboxylate
Description:	Methyl 4-(4-Chloro-6-methyl-2-pyrimidinyl)-1-methoxycyclohexanecarboxylate may be useful in the preparation of heterocyclyl aminopyrazoles as inhibitors of RET kinase for treatment of cancer.
Molecular Weight:	298.77
Molecular Formula:	C14H19ClN2O4
Canonical SMILES:	CC1=CC(=NC(=N1)C2CCC(CC2)(C(=O)OC)OC)Cl
InChI:	InChI=1S/C14H19ClN2O3/c1-9-8-11(15)17-12(16-9)10-4-6-14(20-3,7-5-10)13(18)19-2/h8,10H,4-7H2,1-3H3
InChI Key:	QKJFOTOEFVUVOE-UHFFFAOYSA-N
References:	Brubaker, J. D., et al. U.S. Pat. Appl. Publ., 48 pp., US 20170121312 (2017).

Complexity:	345
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	298.1084202
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	298.1084202
Rotatable Bond Count:	4
Topological Polar Surface Area:	61.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5