DDP
2,4-DIAMINO-4,6-DIHYDROXYPYRIMIDINE
Created: | 2001-05-08 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 16 |
Chiral Atom Count | 0 |
Bond Count | 16 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 2,4-DIAMINO-4,6-DIHYDROXYPYRIMIDINE |
Systematic Name (OpenEye OEToolkits) | 2,5-diaminopyrimidine-4,6-diol |
Formula | C4 H6 N4 O2 |
Molecular Weight | 142.116 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Oc1nc(nc(O)c1N)N |
SMILES | CACTVS | 3.341 | Nc1nc(O)c(N)c(O)n1 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1(c(nc(nc1O)N)O)N |
Canonical SMILES | CACTVS | 3.341 | Nc1nc(O)c(N)c(O)n1 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1(c(nc(nc1O)N)O)N |
InChI | InChI | 1.03 | InChI=1S/C4H6N4O2/c5-1-2(9)7-4(6)8-3(1)10/h5H2,(H4,6,7,8,9,10) |
InChIKey | InChI | 1.03 | HWSJQFCTYLBBOF-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank ID | DB02037 |
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Name | 2,5-Diaminopyrimidin-4,6-diol |
Groups | experimental |
Synonyms | 2,5-Diaminopyrimidin-4,6-diol |
CAS number | 102783-67-5 |
Related Resource References
Resource Name | Reference |
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PubChem | 5288042, 2733981 |
ChEMBL | CHEMBL175083 |