ethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate

C13H11ClN2O4 — CID 11964367

IUPACethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H11ClN2O4/c1-2-20-12(18)9-10(15-13(19)16-11(9)17)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3,(H2,15,16,17,19)
InChIKeyQVUHSLUQMWLXTG-UHFFFAOYSA-N
MW294.69 g/mol
LogP1.56
Rot. Bonds3

About ethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate

ethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate (PubChem CID 11964367) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is ethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate
PubChem CID11964367
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Nameethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H11ClN2O4/c1-2-20-12(18)9-10(15-13(19)16-11(9)17)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3,(H2,15,16,17,19)
InChIKeyQVUHSLUQMWLXTG-UHFFFAOYSA-N
XLogP1.56
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 11523218
ethyl 6-(4-chlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 101348611
ethyl 2,4-dioxo-6-phenyl-1H-pyrimidine-5-carboxylate
CID 101415224
Ethyl 3-methyl-2,4-dioxo-6-phenyl-1,2,3,4-tetrahydro-1,3-diazine-5-carboxylate
CID 545006
ethyl 6-(4-chlorophenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxylate
CID 12169825
ethyl 2-[(4-chlorophenyl)methylamino]-6-oxo-1H-pyrimidine-5-carboxylate
CID 20460219
Methyl 6-(4-chlorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxylate
CID 66490191
Ethyl 5-(3-chlorophenyl)-2,7-dioxo-1,4-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 67480416
Methyl 6-(4-chlorophenyl)-5-(phenyl)-2-oxo-1,2-dihydropyridine-3-carboxylate
CID 69418079
Ethyl 6-(4-chlorophenyl)-5-ethyl-1,2-dihydro-4-hydroxy-2-oxopyridine-3-carboxylate
CID 117953017
ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate
CID 118278384
ethyl 2-(4-chlorophenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 136444871

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate (CID 11964367) is ethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of ethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate?
The InChIKey is QVUHSLUQMWLXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-2-20-12(18)9-10(15-13(19)16-11(9)17)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3,(H2,15,16,17,19).
What are the key properties of ethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate?
ethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate has a molecular weight of 294.69 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 11964367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).