Title: Facile transformation of Biginelli pyrimidin-2(1H)-ones to pyrimidines. In vitro evaluation as inhibitors of Mycobacterium tuberculosis and modulators of cytostatic activity.
Journal: European journal of medicinal chemistry 20110601
Chemical Name:
Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate
CAS Number:
188781-08-0
Molecular Formula:
C8H9ClN2O2
Molecular Weight:
200.6223
MDL Number:
MFCD03425963
SMILES:
CCOC(=O)c1cnc(nc1C)Cl
Properties
BP:
302.7°C at 760 mmHg
Form:
Solid
Storage:
Inert atmosphere;2-8℃;
Complexity:
189
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Rotatable Bond Count:
3
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
Title: Facile transformation of Biginelli pyrimidin-2(1H)-ones to pyrimidines. In vitro evaluation as inhibitors of Mycobacterium tuberculosis and modulators of cytostatic activity.
Journal: European journal of medicinal chemistry20110601