disodium;5-nitropyrimidine-4,6-diolate

C4HN3Na2O4 — CID 171114647

IUPACdisodium;5-nitropyrimidine-4,6-diolate
SMILESO=[N+]([O-])c1c([O-])ncnc1[O-].[Na+].[Na+]
InChIInChI=1S/C4H3N3O4.2Na/c8-3-2(7(10)11)4(9)6-1-5-3;;/h1H,(H2,5,6,8,9);;/q;2*+1/p-2
InChIKeyGAWVKBXZCICZOX-UHFFFAOYSA-L
MW201.05 g/mol
LogP-7.46
Rot. Bonds1

About disodium;5-nitropyrimidine-4,6-diolate

disodium;5-nitropyrimidine-4,6-diolate (PubChem CID 171114647) has the molecular formula C4HN3Na2O4 and a molecular weight of 201.05 g/mol. Its IUPAC name is disodium;5-nitropyrimidine-4,6-diolate.

Molecular Properties

Compound Namedisodium;5-nitropyrimidine-4,6-diolate
PubChem CID171114647
Molecular FormulaC4HN3Na2O4
Molecular Weight201.05 g/mol
Exact Mass200.98
IUPAC Namedisodium;5-nitropyrimidine-4,6-diolate
SMILESO=[N+]([O-])c1c([O-])ncnc1[O-].[Na+].[Na+]
InChIInChI=1S/C4H3N3O4.2Na/c8-3-2(7(10)11)4(9)6-1-5-3;;/h1H,(H2,5,6,8,9);;/q;2*+1/p-2
InChIKeyGAWVKBXZCICZOX-UHFFFAOYSA-L
XLogP-7.46
TPSA115.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 5-7.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[6-(2-methylhydrazinyl)-5-nitropyrimidin-4-yl]hydrazine
CID 101253876
5-nitro-6-prop-2-enoxypyrimidin-4-amine
CID 80868030
4,6-bis(4-methylpiperazin-1-yl)-5-nitropyrimidine
CID 7584049
6-but-3-enoxy-5-nitropyrimidin-4-amine
CID 80861263
5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine
CID 71336225
N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine
CID 80886578
4-N,4-N-bis(2-methoxyethyl)-6-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 23488871
5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine
CID 3623508
5-nitro-4-N,6-N-dipentylpyrimidine-4,6-diamine
CID 4072396
2,3,4,5-tetranitropyridine
CID 135563868
[2-chloro-2-(6-chloro-5-nitropyrimidin-4-yl)ethyl] formate
CID 174755484
1,2,3,4,5-pentanitro-6-(2,3,4,5,6-pentanitrophenyl)benzene
CID 13070457

Frequently Asked Questions

What is the IUPAC name of disodium;5-nitropyrimidine-4,6-diolate?
The IUPAC name of disodium;5-nitropyrimidine-4,6-diolate (CID 171114647) is disodium;5-nitropyrimidine-4,6-diolate.
What is the SMILES notation for disodium;5-nitropyrimidine-4,6-diolate?
The canonical SMILES for disodium;5-nitropyrimidine-4,6-diolate is O=[N+]([O-])c1c([O-])ncnc1[O-].[Na+].[Na+].
What is the InChIKey of disodium;5-nitropyrimidine-4,6-diolate?
The InChIKey is GAWVKBXZCICZOX-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H3N3O4.2Na/c8-3-2(7(10)11)4(9)6-1-5-3;;/h1H,(H2,5,6,8,9);;/q;2*+1/p-2.
What are the key properties of disodium;5-nitropyrimidine-4,6-diolate?
disodium;5-nitropyrimidine-4,6-diolate has a molecular weight of 201.05 g/mol, XLogP of -7.46, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;5-nitropyrimidine-4,6-diolate is sourced from PubChem (CID 171114647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).