ethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate

C9H12N2O5 — CID 67295466

IUPACethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c(=O)c1OCC
InChIInChI=1S/C9H12N2O5/c1-3-15-6-5(8(13)16-4-2)10-9(14)11-7(6)12/h3-4H2,1-2H3,(H2,10,11,12,14)
InChIKeyDYHVGLKHUMYFRS-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.36
Rot. Bonds4

About ethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate

ethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 67295466) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is ethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID67295466
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Nameethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c(=O)c1OCC
InChIInChI=1S/C9H12N2O5/c1-3-15-6-5(8(13)16-4-2)10-9(14)11-7(6)12/h3-4H2,1-2H3,(H2,10,11,12,14)
InChIKeyDYHVGLKHUMYFRS-UHFFFAOYSA-N
XLogP-0.36
TPSA101.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 67295466) is ethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate is CCOC(=O)c1[nH]c(=O)[nH]c(=O)c1OCC.
What is the InChIKey of ethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is DYHVGLKHUMYFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-3-15-6-5(8(13)16-4-2)10-9(14)11-7(6)12/h3-4H2,1-2H3,(H2,10,11,12,14).
What are the key properties of ethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate?
ethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 228.20 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 67295466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).