Home Halogens Pyrimidine, 4-chloro-6-methyl-2-(1-methylethyl)-

Pyrimidine, 4-chloro-6-methyl-2-(1-methylethyl)-

CAS No.:
4595-69-1
Catalog Number:
AG00DBJM
Molecular Formula:
C8H11ClN2
Molecular Weight:
170.6393
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Product Description
Catalog Number:
AG00DBJM
Chemical Name:
Pyrimidine, 4-chloro-6-methyl-2-(1-methylethyl)-
CAS Number:
4595-69-1
Molecular Formula:
C8H11ClN2
Molecular Weight:
170.6393
MDL Number:
MFCD02685656
IUPAC Name:
4-chloro-6-methyl-2-propan-2-ylpyrimidine
InChI:
InChI=1S/C8H11ClN2/c1-5(2)8-10-6(3)4-7(9)11-8/h4-5H,1-3H3
InChI Key:
PJCDNTVCCXJUAC-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)nc(n1)C(C)C
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.061g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.64g/mol
Monoisotopic Mass:
170.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties