[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate

C16H16FN3O6 — CID 23964696

IUPAC[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
SMILESCn1c(NC(=O)COC(=O)COc2cccc(F)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H16FN3O6/c1-19-12(7-14(22)20(2)16(19)24)18-13(21)8-26-15(23)9-25-11-5-3-4-10(17)6-11/h3-7H,8-9H2,1-2H3,(H,18,21)
InChIKeyPDAGRUXFHMFTMC-UHFFFAOYSA-N
MW365.32 g/mol
LogP-0.22
Rot. Bonds6

About [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate

[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate (PubChem CID 23964696) has the molecular formula C16H16FN3O6 and a molecular weight of 365.32 g/mol. Its IUPAC name is [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
PubChem CID23964696
Molecular FormulaC16H16FN3O6
Molecular Weight365.32 g/mol
Exact Mass365.10
IUPAC Name[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
SMILESCn1c(NC(=O)COC(=O)COc2cccc(F)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H16FN3O6/c1-19-12(7-14(22)20(2)16(19)24)18-13(21)8-26-15(23)9-25-11-5-3-4-10(17)6-11/h3-7H,8-9H2,1-2H3,(H,18,21)
InChIKeyPDAGRUXFHMFTMC-UHFFFAOYSA-N
XLogP-0.22
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate with MolForge

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Related Compounds

(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
CID 8915415
[2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 23855950
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915200
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915570
[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] benzoate
CID 23907176
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate
CID 8915553
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8914732
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915777
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915640
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915149
butyl 2-(3-fluorophenoxy)acetate
CID 60644291
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 4175549

Frequently Asked Questions

What is the IUPAC name of [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The IUPAC name of [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate (CID 23964696) is [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate.
What is the SMILES notation for [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The canonical SMILES for [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate is Cn1c(NC(=O)COC(=O)COc2cccc(F)c2)cc(=O)n(C)c1=O.
What is the InChIKey of [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
The InChIKey is PDAGRUXFHMFTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O6/c1-19-12(7-14(22)20(2)16(19)24)18-13(21)8-26-15(23)9-25-11-5-3-4-10(17)6-11/h3-7H,8-9H2,1-2H3,(H,18,21).
What are the key properties of [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate?
[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate has a molecular weight of 365.32 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate is sourced from PubChem (CID 23964696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).