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1220039-43-9 | 2-Pyrimidineacetamide
CAS No: 1220039-43-9 Catalog No: AG0016L5 MDL No:MFCD15475001
Product Description
Catalog Number:
AG0016L5
Chemical Name:
2-Pyrimidineacetamide
CAS Number:
1220039-43-9
Molecular Formula:
C6H7N3O
Molecular Weight:
137.1393
MDL Number:
MFCD15475001
IUPAC Name:
2-pyrimidin-2-ylacetamide
InChI:
InChI=1S/C6H7N3O/c7-5(10)4-6-8-2-1-3-9-6/h1-3H,4H2,(H2,7,10)
InChI Key:
QKYYCHBWOLRIJJ-UHFFFAOYSA-N
SMILES:
NC(=O)Cc1ncccn1
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.142g/mol
Monoisotopic Mass:
137.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Stereoselectivity and regioselectivity in nucleophilic ring opening in derivatives of 3-phenylisoxazolo[2,3-a]pyrimidine. Unpredicted dimerization and ring transformation. Syntheses of derivatives of pyrimidinylmethylamine, pyrimidinylmethylamino acid amides, and alpha-amino-2-pyrimidinylacetamides. | The Journal of organic chemistry 20040723 |
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