methyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate

C9H12N2O6 — CID 11514278

IUPACmethyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c(=O)n1COCCO
InChIInChI=1S/C9H12N2O6/c1-16-8(14)6-4-7(13)10-9(15)11(6)5-17-3-2-12/h4,12H,2-3,5H2,1H3,(H,10,13,15)
InChIKeyGQVNGNJLBXVODK-UHFFFAOYSA-N
MW244.20 g/mol
LogP-1.71
Rot. Bonds5

About methyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate

methyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate (PubChem CID 11514278) has the molecular formula C9H12N2O6 and a molecular weight of 244.20 g/mol. Its IUPAC name is methyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate
PubChem CID11514278
Molecular FormulaC9H12N2O6
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Namemethyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c(=O)n1COCCO
InChIInChI=1S/C9H12N2O6/c1-16-8(14)6-4-7(13)10-9(15)11(6)5-17-3-2-12/h4,12H,2-3,5H2,1H3,(H,10,13,15)
InChIKeyGQVNGNJLBXVODK-UHFFFAOYSA-N
XLogP-1.71
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate?
The IUPAC name of methyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate (CID 11514278) is methyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate.
What is the SMILES notation for methyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate?
The canonical SMILES for methyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate is COC(=O)c1cc(=O)[nH]c(=O)n1COCCO.
What is the InChIKey of methyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate?
The InChIKey is GQVNGNJLBXVODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6/c1-16-8(14)6-4-7(13)10-9(15)11(6)5-17-3-2-12/h4,12H,2-3,5H2,1H3,(H,10,13,15).
What are the key properties of methyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate?
methyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate has a molecular weight of 244.20 g/mol, XLogP of -1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidine-4-carboxylate is sourced from PubChem (CID 11514278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).