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

C16H16F2N2O4 — CID 67955325

IUPACethyl 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cc(F)cc(F)c2)n(CCOC)c1=O
InChIInChI=1S/C16H16F2N2O4/c1-3-24-16(22)13-9-19-14(20(15(13)21)4-5-23-2)10-6-11(17)8-12(18)7-10/h6-9H,3-5H2,1-2H3
InChIKeyJAHSNKXZLUSJJM-UHFFFAOYSA-N
MW338.31 g/mol
LogP2.01
Rot. Bonds6

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

ethyl 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate (PubChem CID 67955325) has the molecular formula C16H16F2N2O4 and a molecular weight of 338.31 g/mol. Its IUPAC name is ethyl 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate
PubChem CID67955325
Molecular FormulaC16H16F2N2O4
Molecular Weight338.31 g/mol
Exact Mass338.11
IUPAC Nameethyl 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cc(F)cc(F)c2)n(CCOC)c1=O
InChIInChI=1S/C16H16F2N2O4/c1-3-24-16(22)13-9-19-14(20(15(13)21)4-5-23-2)10-6-11(17)8-12(18)7-10/h6-9H,3-5H2,1-2H3
InChIKeyJAHSNKXZLUSJJM-UHFFFAOYSA-N
XLogP2.01
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate (CID 67955325) is ethyl 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cc(F)cc(F)c2)n(CCOC)c1=O.
What is the InChIKey of ethyl 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate?
The InChIKey is JAHSNKXZLUSJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4/c1-3-24-16(22)13-9-19-14(20(15(13)21)4-5-23-2)10-6-11(17)8-12(18)7-10/h6-9H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate?
ethyl 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate has a molecular weight of 338.31 g/mol, XLogP of 2.01, 6 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)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate is sourced from PubChem (CID 67955325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).