5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C7H8N2O5 — CID 67295427

IUPAC5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCCOc1c(C(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O5/c1-2-14-4-3(6(11)12)8-7(13)9-5(4)10/h2H2,1H3,(H,11,12)(H2,8,9,10,13)
InChIKeyMCMOWQXGSAKEDZ-UHFFFAOYSA-N
MW200.15 g/mol
LogP-0.84
Rot. Bonds3

About 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 67295427) has the molecular formula C7H8N2O5 and a molecular weight of 200.15 g/mol. Its IUPAC name is 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID67295427
Molecular FormulaC7H8N2O5
Molecular Weight200.15 g/mol
Exact Mass200.04
IUPAC Name5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCCOc1c(C(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O5/c1-2-14-4-3(6(11)12)8-7(13)9-5(4)10/h2H2,1H3,(H,11,12)(H2,8,9,10,13)
InChIKeyMCMOWQXGSAKEDZ-UHFFFAOYSA-N
XLogP-0.84
TPSA112.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 67295427) is 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is CCOc1c(C(=O)O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is MCMOWQXGSAKEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5/c1-2-14-4-3(6(11)12)8-7(13)9-5(4)10/h2H2,1H3,(H,11,12)(H2,8,9,10,13).
What are the key properties of 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 200.15 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 67295427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).