ethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate

C16H17FN2O4 — CID 58374879

IUPACethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(Cc2ccccc2F)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H17FN2O4/c1-4-23-15(21)13-12(9-10-7-5-6-8-11(10)17)18(2)16(22)19(3)14(13)20/h5-8H,4,9H2,1-3H3
InChIKeyLEKVASPMUUHMLT-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.99
Rot. Bonds4

About ethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate

ethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate (PubChem CID 58374879) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is ethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate
PubChem CID58374879
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Nameethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(Cc2ccccc2F)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H17FN2O4/c1-4-23-15(21)13-12(9-10-7-5-6-8-11(10)17)18(2)16(22)19(3)14(13)20/h5-8H,4,9H2,1-3H3
InChIKeyLEKVASPMUUHMLT-UHFFFAOYSA-N
XLogP0.99
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-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 4-(2-fluoroanilino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate
CID 25109868
ethyl 3-amino-5-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxylate
CID 135371275
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 6-[(2-fluorophenyl)methyl]-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 82273376
ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate
CID 3058687
ethyl 4-cyano-5-ethyl-3-[4-[(2-fluorophenyl)methyl]phenyl]-1-methylpyrrole-2-carboxylate
CID 69021036
ethyl 4-(2-fluorophenyl)-2-methyl-3,5-dioxo-1,2,4-triazine-6-carboxylate
CID 118655209
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066
ethyl 2-amino-4-[[2-(2-fluorophenyl)acetyl]oxymethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 8661287
ethyl 1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazole-3-carboxylate
CID 142141989
2-O-ethyl 4-O-[(2-fluorophenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2601268
3-amino-5-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 135371438

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate (CID 58374879) is ethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate is CCOC(=O)c1c(Cc2ccccc2F)n(C)c(=O)n(C)c1=O.
What is the InChIKey of ethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate?
The InChIKey is LEKVASPMUUHMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-4-23-15(21)13-12(9-10-7-5-6-8-11(10)17)18(2)16(22)19(3)14(13)20/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate?
ethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate has a molecular weight of 320.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate is sourced from PubChem (CID 58374879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).