Home Nitriles 4-Hydroxypyrimidine-5-carbonitrile

4-Hydroxypyrimidine-5-carbonitrile

CAS No.:
4774-34-9
Catalog Number:
AG006ZQ3
Molecular Formula:
C5H3N3O
Molecular Weight:
121.0968
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$63
- +
25g
97%
In Stock USA
United States
$188
- +
100g
97%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG006ZQ3
Chemical Name:
4-Hydroxypyrimidine-5-carbonitrile
CAS Number:
4774-34-9
Molecular Formula:
C5H3N3O
Molecular Weight:
121.0968
MDL Number:
MFCD00087111
IUPAC Name:
6-oxo-1H-pyrimidine-5-carbonitrile
InChI:
InChI=1S/C5H3N3O/c6-1-4-2-7-3-8-5(4)9/h2-3H,(H,7,8,9)
InChI Key:
SVOQOFSQLVVHKQ-UHFFFAOYSA-N
SMILES:
N#Cc1cncnc1O
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.028g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
121.099g/mol
Monoisotopic Mass:
121.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Literature
Title Journal
5-Cyano-6-oxo-1,6-dihydro-pyrimidines as potent antagonists targeting exchange proteins directly activated by cAMP. Bioorganic & medicinal chemistry letters 20120615
Properties