ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate

C16H15FN2O4 — CID 155177441

IUPACethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1c2n(c(=O)n(-c3ccc(F)cc3)c1=O)CCC2
InChIInChI=1S/C16H15FN2O4/c1-2-23-15(21)13-12-4-3-9-18(12)16(22)19(14(13)20)11-7-5-10(17)6-8-11/h5-8H,2-4,9H2,1H3
InChIKeyYQFDWJAUPYZZTM-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.26
Rot. Bonds3

About ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate

ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate (PubChem CID 155177441) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
PubChem CID155177441
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Nameethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1c2n(c(=O)n(-c3ccc(F)cc3)c1=O)CCC2
InChIInChI=1S/C16H15FN2O4/c1-2-23-15(21)13-12-4-3-9-18(12)16(22)19(14(13)20)11-7-5-10(17)6-8-11/h5-8H,2-4,9H2,1H3
InChIKeyYQFDWJAUPYZZTM-UHFFFAOYSA-N
XLogP1.26
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate
CID 643352
diethyl 1-(4-fluorophenyl)-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 71598928
ethyl 2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate
CID 154663343
CID 89023824
CID 89023824
ethyl 1-(4-fluorophenyl)-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate
CID 164520780
ethyl 3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)-2,4-dioxopyrimidine-5-carboxylate
CID 162488526
ethyl 3-(bromomethyl)-1-(4-fluorophenyl)-2-methyl-5-oxopyrazole-4-carboxylate
CID 66767121
ethyl 2-chloro-5-(1-cyano-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)-4-fluorobenzoate
CID 19875255
ethyl 1-(4-fluorophenyl)-2-methoxy-6-oxopyrimidine-5-carboxylate
CID 141474030
ethyl 3-(4-fluorophenyl)-4-methyl-1,2-dihydrotriazole-5-carboxylate
CID 137483527
ethyl 4-(2-oxoazepan-1-yl)benzoate
CID 168817150
ethyl 3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxylate
CID 71117794

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate (CID 155177441) is ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate is CCOC(=O)c1c2n(c(=O)n(-c3ccc(F)cc3)c1=O)CCC2.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
The InChIKey is YQFDWJAUPYZZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-2-23-15(21)13-12-4-3-9-18(12)16(22)19(14(13)20)11-7-5-10(17)6-8-11/h5-8H,2-4,9H2,1H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate has a molecular weight of 318.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate is sourced from PubChem (CID 155177441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).