Sulfuric acid--5,6-diaminopyrimidin-4(1H)-one (1/2)
PubChem CID
135445709
Structure
Molecular Formula
Synonyms
- 102783-18-6
- 5,6-Diaminopyrimidin-4(3H)-one sulfate(2:1)
- 4,5-DIAMINO-6-HYDROXYPYRIMIDINE HEMISULFATE
- 4,5-Diamino-6-hydroxypyrimidine hemisulfate salt
- DTXSID80585123
Molecular Weight
350.32 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Component Compounds
Dates
- Create:2019-01-15
- Modify:2025-01-18
Chemical Structure Depiction
Conformer generation is disallowed since mixture or salt
4,5-diamino-1H-pyrimidin-6-one;sulfuric acid
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/2C4H6N4O.H2O4S/c2*5-2-3(6)7-1-8-4(2)9;1-5(2,3)4/h2*1H,5H2,(H3,6,7,8,9);(H2,1,2,3,4)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
SVJZVGHPJPXEJQ-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1=NC(=C(C(=O)N1)N)N.C1=NC(=C(C(=O)N1)N)N.OS(=O)(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C8H14N8O6S
Computed by PubChem 2.2 (PubChem release 2024.11.20)
102783-18-6
- 102783-18-6
- 5,6-Diaminopyrimidin-4(3H)-one sulfate(2:1)
- 4,5-DIAMINO-6-HYDROXYPYRIMIDINE HEMISULFATE
- 4,5-Diamino-6-hydroxypyrimidine hemisulfate salt
- DTXSID80585123
- 5,6-diamino-1H-pyrimidin-4-one;sulfuric acid
- Sulfuric acid--5,6-diaminopyrimidin-4(1H)-one (1/2)
- 5,6-Diaminopyrimidin-4(3H)-onesulfate(2:1)
- bis(5,6-diaminopyrimidin-4-ol); sulfuric acid
- DTXCID60535888
- SVJZVGHPJPXEJQ-UHFFFAOYSA-N
- 5,6-diaminopyrimidin-4-ol hemisulfate
- AKOS022178138
- AKOS027470128
- 5,6-Diamino-4-pyrimidinol hemisulfate
- GS-6426
- SB58005
- 4,5-Diamino-6-hydroxypyrimidine hemisulphate
- CS-0155508
- H10367
- J-000786
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
350.32 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
12
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
350.07570137 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
350.07570137 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
270 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
23
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
286
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=SVJZVGHPJPXEJQ-UHFFFAOYSA-N
- EPA DSSToxSulfuric acid--5,6-diaminopyrimidin-4(1H)-one (1/2)https://comptox.epa.gov/dashboard/DTXSID80585123
- SpectraBase4,5-Diamino-6-hydroxypyrimidine hemisulfate salthttps://spectrabase.com/spectrum/6da8lQso2KL4,5-Diamino-6-hydroxypyrimidine hemisulfate salthttps://spectrabase.com/spectrum/3mOqc6XeS0E4,5-Diamino-6-hydroxypyrimidine hemisulfate salthttps://spectrabase.com/spectrum/Dgkr5THv7nT
- Wikidata4,5-Diamino-6-hydroxyprimidine hemisulfatehttps://www.wikidata.org/wiki/Q72462898
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 399850911https://pubchem.ncbi.nlm.nih.gov/substance/399850911
CONTENTS