ethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate

C17H17N3O5 — CID 118064902

IUPACethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(C3CCC(=O)N3)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H17N3O5/c1-2-25-16(23)12-9-20(17(24)19-15(12)22)11-5-3-10(4-6-11)13-7-8-14(21)18-13/h3-6,9,13H,2,7-8H2,1H3,(H,18,21)(H,19,22,24)
InChIKeyGNBZJEQIZZBTOY-UHFFFAOYSA-N
MW343.34 g/mol
LogP0.65
Rot. Bonds4

About ethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate

ethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate (PubChem CID 118064902) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is ethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate
PubChem CID118064902
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Nameethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(C3CCC(=O)N3)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H17N3O5/c1-2-25-16(23)12-9-20(17(24)19-15(12)22)11-5-3-10(4-6-11)13-7-8-14(21)18-13/h3-6,9,13H,2,7-8H2,1H3,(H,18,21)(H,19,22,24)
InChIKeyGNBZJEQIZZBTOY-UHFFFAOYSA-N
XLogP0.65
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4-dioxopyrimidine-5-carboxylate
CID 90023223
ethyl 1-(3-ethyl-1-methyl-2-oxobenzimidazol-5-yl)-2,4-dioxopyrimidine-5-carboxylate
CID 123528972
tert-butyl 6-(5-ethoxycarbonyl-2,4-dioxopyrimidin-1-yl)-3-methyl-2-oxobenzimidazole-1-carboxylate
CID 90022397
methyl 4-[(2R)-5-oxopyrrolidin-2-yl]benzoate
CID 164666440
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 7-cyclopentyl-2-oxo-1H-quinoline-3-carboxylate
CID 172562662
ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate
CID 15466903
ethyl 2-(3,4-dimethylphenyl)-5-oxo-1H-pyrazole-4-carboxylate
CID 141261291
diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate
CID 86258713
ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 29102064
diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate
CID 3810203
5-[4-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one
CID 15104502

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate (CID 118064902) is ethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate is CCOC(=O)c1cn(-c2ccc(C3CCC(=O)N3)cc2)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate?
The InChIKey is GNBZJEQIZZBTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-2-25-16(23)12-9-20(17(24)19-15(12)22)11-5-3-10(4-6-11)13-7-8-14(21)18-13/h3-6,9,13H,2,7-8H2,1H3,(H,18,21)(H,19,22,24).
What are the key properties of ethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate?
ethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dioxo-1-[4-(5-oxopyrrolidin-2-yl)phenyl]pyrimidine-5-carboxylate is sourced from PubChem (CID 118064902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).