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66373-25-9 | 5-Acetyl-2-amino-4-methylpyrimidine, 97%
CAS No: 66373-25-9 Catalog No: AG003MBR MDL No:MFCD00052621
Product Description
Catalog Number:
AG003MBR
Chemical Name:
5-Acetyl-2-amino-4-methylpyrimidine, 97%
CAS Number:
66373-25-9
Molecular Formula:
C7H9N3O
Molecular Weight:
151.1659
MDL Number:
MFCD00052621
IUPAC Name:
1-(2-amino-4-methylpyrimidin-5-yl)ethanone
InChI:
InChI=1S/C7H9N3O/c1-4-6(5(2)11)3-9-7(8)10-4/h3H,1-2H3,(H2,8,9,10)
InChI Key:
LWZQQJIAMSDELT-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)C)C(=O)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.075g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.169g/mol
Monoisotopic Mass:
151.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design. | Bioorganic & medicinal chemistry letters 20111001 |
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