1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione

C11H18N2O4 — CID 712442

IUPAC1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione
SMILESCCOC(Cn1cc(C)c(=O)[nH]c1=O)OCC
InChIInChI=1S/C11H18N2O4/c1-4-16-9(17-5-2)7-13-6-8(3)10(14)12-11(13)15/h6,9H,4-5,7H2,1-3H3,(H,12,14,15)
InChIKeyNTEQMAGNJSCEDB-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.24
Rot. Bonds6

About 1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione

1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione (PubChem CID 712442) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione
PubChem CID712442
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione
SMILESCCOC(Cn1cc(C)c(=O)[nH]c1=O)OCC
InChIInChI=1S/C11H18N2O4/c1-4-16-9(17-5-2)7-13-6-8(3)10(14)12-11(13)15/h6,9H,4-5,7H2,1-3H3,(H,12,14,15)
InChIKeyNTEQMAGNJSCEDB-UHFFFAOYSA-N
XLogP0.24
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione (CID 712442) is 1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione is CCOC(Cn1cc(C)c(=O)[nH]c1=O)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is NTEQMAGNJSCEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-4-16-9(17-5-2)7-13-6-8(3)10(14)12-11(13)15/h6,9H,4-5,7H2,1-3H3,(H,12,14,15).
What are the key properties of 1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione?
1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 242.27 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 712442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).