magnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride

C7H12ClMgN2NaO5 — CID 174262813

IUPACmagnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride
SMILESCC(=O)C(=O)O.Cl.O=c1cc[nH]c(=O)[nH]1.[H-].[H-].[H-].[Mg+2].[Na+]
InChIInChI=1S/C4H4N2O2.C3H4O3.ClH.Mg.Na.3H/c7-3-1-2-5-4(8)6-3;1-2(4)3(5)6;;;;;;/h1-2H,(H2,5,6,7,8);1H3,(H,5,6);1H;;;;;/q;;;+2;+1;3*-1
InChIKeyMPDYFBSWENNNHA-UHFFFAOYSA-N
MW286.93 g/mol
LogP-3.89
Rot. Bonds1

About magnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride

magnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 174262813) has the molecular formula C7H12ClMgN2NaO5 and a molecular weight of 286.93 g/mol. Its IUPAC name is magnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Namemagnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID174262813
Molecular FormulaC7H12ClMgN2NaO5
Molecular Weight286.93 g/mol
Exact Mass286.02
IUPAC Namemagnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride
SMILESCC(=O)C(=O)O.Cl.O=c1cc[nH]c(=O)[nH]1.[H-].[H-].[H-].[Mg+2].[Na+]
InChIInChI=1S/C4H4N2O2.C3H4O3.ClH.Mg.Na.3H/c7-3-1-2-5-4(8)6-3;1-2(4)3(5)6;;;;;;/h1-2H,(H2,5,6,7,8);1H3,(H,5,6);1H;;;;;/q;;;+2;+1;3*-1
InChIKeyMPDYFBSWENNNHA-UHFFFAOYSA-N
XLogP-3.89
TPSA120.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.93
LogP ≤ 5-3.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of magnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of magnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride (CID 174262813) is magnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for magnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for magnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride is CC(=O)C(=O)O.Cl.O=c1cc[nH]c(=O)[nH]1.[H-].[H-].[H-].[Mg+2].[Na+].
What is the InChIKey of magnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is MPDYFBSWENNNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.C3H4O3.ClH.Mg.Na.3H/c7-3-1-2-5-4(8)6-3;1-2(4)3(5)6;;;;;;/h1-2H,(H2,5,6,7,8);1H3,(H,5,6);1H;;;;;/q;;;+2;+1;3*-1.
What are the key properties of magnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride?
magnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 286.93 g/mol, XLogP of -3.89, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;sodium;hydride;2-oxopropanoic acid;1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 174262813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).