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15828-63-4 | 2,4(1H,3H)-Pyrimidinedione, 6-amino-5-methyl-
CAS No: 15828-63-4 Catalog No: AG001Q3F MDL No:
Product Description
Catalog Number:
AG001Q3F
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-amino-5-methyl-
CAS Number:
15828-63-4
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
IUPAC Name:
6-amino-5-methyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C5H7N3O2/c1-2-3(6)7-5(10)8-4(2)9/h1H3,(H4,6,7,8,9,10)
InChI Key:
CUTGVWHMTHWOJP-UHFFFAOYSA-N
SMILES:
Nc1[nH]c(=O)[nH]c(=O)c1C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| Identification of aspartic acid-203 in human thymidine phosphorylase as an important residue for both catalysis and non-competitive inhibition by the small molecule 'crystallization chaperone' 5'-O-tritylinosine (KIN59). | Biochemical pharmacology 20090801 |
| Synthesis and antiviral activity of (E)-5-(2-bromovinyl)uracil and (E)-5-(2-bromovinyl)uridine. | Journal of medicinal chemistry 19860201 |
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