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52386-29-5 | 6-Amino-2-methoxypyrimidin-4(3H)-one
CAS No: 52386-29-5 Catalog No: AG003N2L MDL No:MFCD02091068
Product Description
Catalog Number:
AG003N2L
Chemical Name:
6-Amino-2-methoxypyrimidin-4(3H)-one
CAS Number:
52386-29-5
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD02091068
IUPAC Name:
4-amino-2-methoxy-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H7N3O2/c1-10-5-7-3(6)2-4(9)8-5/h2H,1H3,(H3,6,7,8,9)
InChI Key:
YRLXSZNYIJKRDL-UHFFFAOYSA-N
SMILES:
COc1nc(=O)cc([nH]1)N
Properties
Complexity:
219
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:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and antibacterial activity of 3-substituted-6-(3-ethyl-4-methylanilino)uracils. | Journal of medicinal chemistry 20051103 |
| Methyl 4-amino-2,3-dihydro-6-methoxy-1,3-dioxo-1H-pyrrolo[3,4-c]-pyridine-7-carboxylate forms hydrogen-bonded sheets built from R2(2)(8) and R6(6)(42) rings. | Acta crystallographica. Section C, Crystal structure communications 20010501 |
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