ethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate

C15H14F3N3O5 — CID 134100780

IUPACethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1=O
InChIInChI=1S/C15H14F3N3O5/c1-3-26-13(24)8-20-7-9(4-5-11(20)22)21-12(23)6-10(15(16,17)18)19(2)14(21)25/h4-7H,3,8H2,1-2H3
InChIKeyMPNIUJQYSVZIAN-UHFFFAOYSA-N
MW373.29 g/mol
LogP0.28
Rot. Bonds4

About ethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate

ethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate (PubChem CID 134100780) has the molecular formula C15H14F3N3O5 and a molecular weight of 373.29 g/mol. Its IUPAC name is ethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate
PubChem CID134100780
Molecular FormulaC15H14F3N3O5
Molecular Weight373.29 g/mol
Exact Mass373.09
IUPAC Nameethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1=O
InChIInChI=1S/C15H14F3N3O5/c1-3-26-13(24)8-20-7-9(4-5-11(20)22)21-12(23)6-10(15(16,17)18)19(2)14(21)25/h4-7H,3,8H2,1-2H3
InChIKeyMPNIUJQYSVZIAN-UHFFFAOYSA-N
XLogP0.28
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate with MolForge

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Related Compounds

Methyl 2-[3-methyl-2,4-dioxo-6-(trifluoromethyl)pyrimidin-1-yl]acetate
CID 137454045
diethyl (E)-2-(5-fluoro-2,4-dioxo-3-prop-2-enylpyrimidin-1-yl)but-2-enedioate
CID 15404770
diethyl (Z)-2-(5-fluoro-2,4-dioxo-3-prop-2-enylpyrimidin-1-yl)but-2-enedioate
CID 15404771
ethyl 2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]acetate
CID 21824419
Ethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate
CID 81296389
Ethyl 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-2-fluoroacetate
CID 81296596
Ethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate
CID 81296789
Ethyl 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetate
CID 81319863
Ethyl 2-[2-oxo-3-(2,2,2-trifluoroethylcarbamoylamino)-1-pyridinyl]acetate
CID 121538442

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate (CID 134100780) is ethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate is CCOC(=O)Cn1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1=O.
What is the InChIKey of ethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate?
The InChIKey is MPNIUJQYSVZIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O5/c1-3-26-13(24)8-20-7-9(4-5-11(20)22)21-12(23)6-10(15(16,17)18)19(2)14(21)25/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate?
ethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate has a molecular weight of 373.29 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 134100780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).