sodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride

C6H11N2NaO4 — CID 175281534

IUPACsodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride
SMILESCN1C(=O)C(C(O)O)N(C)C1=O.[H-].[Na+]
InChIInChI=1S/C6H10N2O4.Na.H/c1-7-3(5(10)11)4(9)8(2)6(7)12;;/h3,5,10-11H,1-2H3;;/q;+1;-1
InChIKeyPBBGBCZJROFHLX-UHFFFAOYSA-N
MW198.15 g/mol
LogP-4.69
Rot. Bonds1

About sodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride

sodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride (PubChem CID 175281534) has the molecular formula C6H11N2NaO4 and a molecular weight of 198.15 g/mol. Its IUPAC name is sodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride.

Molecular Properties

Compound Namesodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride
PubChem CID175281534
Molecular FormulaC6H11N2NaO4
Molecular Weight198.15 g/mol
Exact Mass198.06
IUPAC Namesodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride
SMILESCN1C(=O)C(C(O)O)N(C)C1=O.[H-].[Na+]
InChIInChI=1S/C6H10N2O4.Na.H/c1-7-3(5(10)11)4(9)8(2)6(7)12;;/h3,5,10-11H,1-2H3;;/q;+1;-1
InChIKeyPBBGBCZJROFHLX-UHFFFAOYSA-N
XLogP-4.69
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 5-4.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
CID 173035286
1,3-dimethyl-5-propan-2-ylimidazolidine-2,4-dione;methane;5-propan-2-ylimidazolidine-2,4-dione
CID 162272241
1,3-dimethyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87233904
1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione
CID 74684234
(1R,6S)-2,4-dimethyl-2,4-diazabicyclo[4.1.0]heptane-3,5-dione
CID 101042940
5-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxopropyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 139085875
5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 23875
1,3-dimethyl-5-phenoxyimidazolidine-2,4-dione
CID 143609407
5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 13319083
5-(2,2-dimethylpropyl)-1,3-dimethylimidazolidine-2,4-dione
CID 130995825
2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione
CID 23044137
1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione
CID 87802390

Frequently Asked Questions

What is the IUPAC name of sodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride?
The IUPAC name of sodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride (CID 175281534) is sodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride.
What is the SMILES notation for sodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride?
The canonical SMILES for sodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride is CN1C(=O)C(C(O)O)N(C)C1=O.[H-].[Na+].
What is the InChIKey of sodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride?
The InChIKey is PBBGBCZJROFHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4.Na.H/c1-7-3(5(10)11)4(9)8(2)6(7)12;;/h3,5,10-11H,1-2H3;;/q;+1;-1.
What are the key properties of sodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride?
sodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride has a molecular weight of 198.15 g/mol, XLogP of -4.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride is sourced from PubChem (CID 175281534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).