sodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate

C12H19N2NaO5 — CID 137321503

IUPACsodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate
SMILESCCOCCOCCC1(CC)C(=O)N=C([O-])NC1=O.[Na+]
InChIInChI=1S/C12H20N2O5.Na/c1-3-12(5-6-19-8-7-18-4-2)9(15)13-11(17)14-10(12)16;/h3-8H2,1-2H3,(H2,13,14,15,16,17);/q;+1/p-1
InChIKeyYJQDODGWIOYBGU-UHFFFAOYSA-M
MW294.28 g/mol
LogP-3.80
Rot. Bonds8

About sodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate

sodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate (PubChem CID 137321503) has the molecular formula C12H19N2NaO5 and a molecular weight of 294.28 g/mol. Its IUPAC name is sodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate.

Molecular Properties

Compound Namesodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate
PubChem CID137321503
Molecular FormulaC12H19N2NaO5
Molecular Weight294.28 g/mol
Exact Mass294.12
IUPAC Namesodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate
SMILESCCOCCOCCC1(CC)C(=O)N=C([O-])NC1=O.[Na+]
InChIInChI=1S/C12H20N2O5.Na/c1-3-12(5-6-19-8-7-18-4-2)9(15)13-11(17)14-10(12)16;/h3-8H2,1-2H3,(H2,13,14,15,16,17);/q;+1/p-1
InChIKeyYJQDODGWIOYBGU-UHFFFAOYSA-M
XLogP-3.80
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 5-3.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

sodium 5-(3-butylsulfanylpropyl)-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate
CID 23703939
sodium 5-ethyl-4,6-dioxo-5-(prop-2-enylsulfanylmethyl)-1H-pyrimidin-2-olate
CID 23703878
sodium 5-butyl-5-(ethylsulfanylmethyl)-4,6-dioxo-1H-pyrimidin-2-olate
CID 23703920
CID 131883127
CID 131883127
sodium;ethoxyethane;1-ethoxyoctane;5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate;tris(propane-1,2,3-triol)
CID 67784484
sodium 5-cyclopentyl-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate
CID 137321551
sodium 5-ethyl-5-(3-methylbutyl)-4,6-dioxo-1H-pyrimidine-2-thiolate
CID 90476454
2-amino-5-butyl-5-ethyl-1H-pyrimidine-4,6-dione
CID 12008284
sodium;ethyl acetate;5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate
CID 67913359
sodium 4,6-dioxo-5-[(E)-pent-2-en-2-yl]-5-propyl-1H-pyrimidin-2-olate
CID 23665608
sodium;azane;ethanol;5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate
CID 70363119
sodium;1,2-diethoxyethane;hydride
CID 174903036

Frequently Asked Questions

What is the IUPAC name of sodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate?
The IUPAC name of sodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate (CID 137321503) is sodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate.
What is the SMILES notation for sodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate?
The canonical SMILES for sodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate is CCOCCOCCC1(CC)C(=O)N=C([O-])NC1=O.[Na+].
What is the InChIKey of sodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate?
The InChIKey is YJQDODGWIOYBGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20N2O5.Na/c1-3-12(5-6-19-8-7-18-4-2)9(15)13-11(17)14-10(12)16;/h3-8H2,1-2H3,(H2,13,14,15,16,17);/q;+1/p-1.
What are the key properties of sodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate?
sodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate has a molecular weight of 294.28 g/mol, XLogP of -3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate is sourced from PubChem (CID 137321503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).