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

C7H8N2O4 — CID 549450

IUPACethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H8N2O4/c1-2-13-6(11)4-3-5(10)9-7(12)8-4/h3H,2H2,1H3,(H2,8,9,10,12)
InChIKeyOQIITSDYUWKGGR-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.76
Rot. Bonds2

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

ethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 549450) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is ethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID549450
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Nameethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H8N2O4/c1-2-13-6(11)4-3-5(10)9-7(12)8-4/h3H,2H2,1H3,(H2,8,9,10,12)
InChIKeyOQIITSDYUWKGGR-UHFFFAOYSA-N
XLogP-0.76
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate
CID 80257
Orotic acid butyl ester
CID 73015
Hexyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 70521246
Methyl 1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 14028158
Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
CID 3086279
Ethyl 1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 130005141
Ethyl 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 21794637
Ammonium orotate
CID 44621156
5-Carbethoxymethylenehydantoin
CID 53820995
Ethyl 1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate
CID 362785
Uracil,2-bis(ethoxycarbonyl)ethenyl]-, cis-
CID 5468899
diethyl (E)-2-(2,4-dioxopyrimidin-1-yl)but-2-enedioate
CID 5468900

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 549450) is ethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate is CCOC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of ethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is OQIITSDYUWKGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-2-13-6(11)4-3-5(10)9-7(12)8-4/h3H,2H2,1H3,(H2,8,9,10,12).
What are the key properties of ethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
ethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 184.15 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 549450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).