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Home Carboxys Ethyl 4-hydroxy-2-(piperidin-1-yl)pyrimidine-5-carboxylate

Ethyl 4-hydroxy-2-(piperidin-1-yl)pyrimidine-5-carboxylate

CAS No.:
25693-43-0
Catalog Number:
AG003QAR
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003QAR
Chemical Name:
Ethyl 4-hydroxy-2-(piperidin-1-yl)pyrimidine-5-carboxylate
CAS Number:
25693-43-0
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
MDL Number:
MFCD00085757
IUPAC Name:
ethyl 6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C12H17N3O3/c1-2-18-11(17)9-8-13-12(14-10(9)16)15-6-4-3-5-7-15/h8H,2-7H2,1H3,(H,13,14,16)
InChI Key:
ZFXRWQJOGNFOMI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1O)N1CCCCC1
Properties
Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.127g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.286g/mol
Monoisotopic Mass:
251.127g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
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