ethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate

C14H12F2N2O4 — CID 54691434

IUPACethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-c2c(F)cccc2F)n(C)c(=O)c1O
InChIInChI=1S/C14H12F2N2O4/c1-3-22-14(21)10-11(19)13(20)18(2)12(17-10)9-7(15)5-4-6-8(9)16/h4-6,19H,3H2,1-2H3
InChIKeyNPTFNXUYBIFTFR-UHFFFAOYSA-N
MW310.26 g/mol
LogP1.61
Rot. Bonds3

About ethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate

ethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate (PubChem CID 54691434) has the molecular formula C14H12F2N2O4 and a molecular weight of 310.26 g/mol. Its IUPAC name is ethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate
PubChem CID54691434
Molecular FormulaC14H12F2N2O4
Molecular Weight310.26 g/mol
Exact Mass310.08
IUPAC Nameethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-c2c(F)cccc2F)n(C)c(=O)c1O
InChIInChI=1S/C14H12F2N2O4/c1-3-22-14(21)10-11(19)13(20)18(2)12(17-10)9-7(15)5-4-6-8(9)16/h4-6,19H,3H2,1-2H3
InChIKeyNPTFNXUYBIFTFR-UHFFFAOYSA-N
XLogP1.61
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate (CID 54691434) is ethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate is CCOC(=O)c1nc(-c2c(F)cccc2F)n(C)c(=O)c1O.
What is the InChIKey of ethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate?
The InChIKey is NPTFNXUYBIFTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O4/c1-3-22-14(21)10-11(19)13(20)18(2)12(17-10)9-7(15)5-4-6-8(9)16/h4-6,19H,3H2,1-2H3.
What are the key properties of ethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate?
ethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate has a molecular weight of 310.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate is sourced from PubChem (CID 54691434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).