200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 28648-86-4
28648-86-4 | 4-Pyrimidinecarboxamide
CAS No: 28648-86-4 Catalog No: AG002VZ9 MDL No:MFCD17013173
Product Description
Catalog Number:
AG002VZ9
Chemical Name:
4-Pyrimidinecarboxamide
CAS Number:
28648-86-4
Molecular Formula:
C5H5N3O
Molecular Weight:
123.1127
MDL Number:
MFCD17013173
IUPAC Name:
pyrimidine-4-carboxamide
InChI:
InChI=1S/C5H5N3O/c6-5(9)4-1-2-7-3-8-4/h1-3H,(H2,6,9)
InChI Key:
HKSQZEGSMBFHGC-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccncn1
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.115g/mol
Monoisotopic Mass:
123.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Antidepressant potential of nitrogen-containing heterocyclic moieties: An updated review. | Journal of pharmacy & bioallied sciences 20110101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.