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Home Carboxys Ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate

Ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate

CAS No.:
15400-53-0
Catalog Number:
AG003Q33
Molecular Formula:
C7H9N3O3
Molecular Weight:
183.1647
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$10
- +
1g
95%
1 week
United States
$23
- +
25g
99%
1 week
United States
$427
- +
Product Description
Catalog Number:
AG003Q33
Chemical Name:
Ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate
CAS Number:
15400-53-0
Molecular Formula:
C7H9N3O3
Molecular Weight:
183.1647
MDL Number:
MFCD00039708
IUPAC Name:
ethyl 2-amino-6-oxo-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)
InChI Key:
HRRHGLKNOJHIGY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1O)N
EC Number:
239-418-5
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.167g/mol
Monoisotopic Mass:
183.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization. Journal of medicinal chemistry 20040325
Properties