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137062-89-6 | 2(1H)-Pyrimidinone, 1,4-diamino-
CAS No: 137062-89-6 Catalog No: AG0012S8 MDL No:
Product Description
Catalog Number:
AG0012S8
Chemical Name:
2(1H)-Pyrimidinone, 1,4-diamino-
CAS Number:
137062-89-6
Molecular Formula:
C4H6N4O
Molecular Weight:
126.1166
IUPAC Name:
1,4-diaminopyrimidin-2-one
InChI:
InChI=1S/C4H6N4O/c5-3-1-2-8(6)4(9)7-3/h1-2H,6H2,(H2,5,7,9)
InChI Key:
KDXVHZYQDLWWGJ-UHFFFAOYSA-N
SMILES:
Nc1ccn(c(=O)n1)N
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.054g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
126.119g/mol
Monoisotopic Mass:
126.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
Literature
| Title | Journal |
|---|---|
| Cytosine to uracil conversion through hydrolytic deamination of cytidine monophosphate hydroxy-alkylated on the amino group: a liquid chromatography--electrospray ionization--mass spectrometry investigation. | Journal of mass spectrometry : JMS 20121001 |
| γ-Hydroxy-1,N2-propano-2'-deoxyguanosine DNA adduct conjugates the N-terminal amine of the KWKK peptide via a carbinolamine linkage. | Chemical research in toxicology 20110718 |
| 1,N2-Etheno-2'-deoxyguanosine adopts the syn conformation about the glycosyl bond when mismatched with deoxyadenosine. | Chemical research in toxicology 20110718 |
| RNA internal loops with tandem AG pairs: the structure of the 5'GAGU/3'UGAG loop can be dramatically different from others, including 5'AAGU/3'UGAA. | Biochemistry 20100713 |
| 1H and 13C resonance assignments of a guanine sensing riboswitch's terminator hairpin. | Biomolecular NMR assignments 20100401 |
| Structure of the 1,N(2)-etheno-2'-deoxyguanosine lesion in the 3'-G(epsilon dG)T-5' sequence opposite a one-base deletion. | Biochemistry 20100330 |
| I-motif structures formed in the human c-MYC promoter are highly dynamic--insights into sequence redundancy and I-motif stability. | PloS one 20100101 |
| Fluorescence energy transfer between fluorescein label and DNA intercalators to detect nucleic acids hybridization in homogeneous media. | Applied spectroscopy 20030201 |
| The exocyclic 1,N2-deoxyguanosine pyrimidopurinone M1G is a chemically stable DNA adduct when placed opposite a two-base deletion in the (CpG)3 frameshift hotspot of the Salmonella typhimurium hisD3052 gene. | Biochemistry 20011225 |
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