5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione

C7H6N2O4 — CID 118607089

IUPAC5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1c[nH]c(=O)n(C=C=O)c1=O
InChIInChI=1S/C7H6N2O4/c1-13-5-4-8-7(12)9(2-3-10)6(5)11/h2,4H,1H3,(H,8,12)
InChIKeyAJWKWDJRPMYKJO-UHFFFAOYSA-N
MW182.13 g/mol
LogP-1.15
Rot. Bonds2

About 5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione

5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione (PubChem CID 118607089) has the molecular formula C7H6N2O4 and a molecular weight of 182.13 g/mol. Its IUPAC name is 5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione
PubChem CID118607089
Molecular FormulaC7H6N2O4
Molecular Weight182.13 g/mol
Exact Mass182.03
IUPAC Name5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1c[nH]c(=O)n(C=C=O)c1=O
InChIInChI=1S/C7H6N2O4/c1-13-5-4-8-7(12)9(2-3-10)6(5)11/h2,4H,1H3,(H,8,12)
InChIKeyAJWKWDJRPMYKJO-UHFFFAOYSA-N
XLogP-1.15
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione (CID 118607089) is 5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione is COc1c[nH]c(=O)n(C=C=O)c1=O.
What is the InChIKey of 5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is AJWKWDJRPMYKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c1-13-5-4-8-7(12)9(2-3-10)6(5)11/h2,4H,1H3,(H,8,12).
What are the key properties of 5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione?
5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 182.13 g/mol, XLogP of -1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 118607089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).