ethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate

C18H20F2N2O4 — CID 118007585

IUPACethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(CC)nc(-c2cc(F)cc(F)c2)n(CCOC)c1=O
InChIInChI=1S/C18H20F2N2O4/c1-4-14-15(18(24)26-5-2)17(23)22(6-7-25-3)16(21-14)11-8-12(19)10-13(20)9-11/h8-10H,4-7H2,1-3H3
InChIKeyASNDREMGUYIUNQ-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.57
Rot. Bonds7

About ethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate

ethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate (PubChem CID 118007585) has the molecular formula C18H20F2N2O4 and a molecular weight of 366.36 g/mol. Its IUPAC name is ethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate
PubChem CID118007585
Molecular FormulaC18H20F2N2O4
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Nameethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(CC)nc(-c2cc(F)cc(F)c2)n(CCOC)c1=O
InChIInChI=1S/C18H20F2N2O4/c1-4-14-15(18(24)26-5-2)17(23)22(6-7-25-3)16(21-14)11-8-12(19)10-13(20)9-11/h8-10H,4-7H2,1-3H3
InChIKeyASNDREMGUYIUNQ-UHFFFAOYSA-N
XLogP2.57
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate (CID 118007585) is ethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate is CCOC(=O)c1c(CC)nc(-c2cc(F)cc(F)c2)n(CCOC)c1=O.
What is the InChIKey of ethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate?
The InChIKey is ASNDREMGUYIUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4/c1-4-14-15(18(24)26-5-2)17(23)22(6-7-25-3)16(21-14)11-8-12(19)10-13(20)9-11/h8-10H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate?
ethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate has a molecular weight of 366.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-difluorophenyl)-4-ethyl-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate is sourced from PubChem (CID 118007585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).