[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

C17H17FN4O6 — CID 3960203

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCn1c(N)c(C(=O)COC(=O)CNC(=O)c2ccccc2F)c(=O)n(C)c1=O
InChIInChI=1S/C17H17FN4O6/c1-21-14(19)13(16(26)22(2)17(21)27)11(23)8-28-12(24)7-20-15(25)9-5-3-4-6-10(9)18/h3-6H,7-8,19H2,1-2H3,(H,20,25)
InChIKeyXVZGDYSYLMZGLQ-UHFFFAOYSA-N
MW392.34 g/mol
LogP-1.04
Rot. Bonds6

About [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 3960203) has the molecular formula C17H17FN4O6 and a molecular weight of 392.34 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID3960203
Molecular FormulaC17H17FN4O6
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCn1c(N)c(C(=O)COC(=O)CNC(=O)c2ccccc2F)c(=O)n(C)c1=O
InChIInChI=1S/C17H17FN4O6/c1-21-14(19)13(16(26)22(2)17(21)27)11(23)8-28-12(24)7-20-15(25)9-5-3-4-6-10(9)18/h3-6H,7-8,19H2,1-2H3,(H,20,25)
InChIKeyXVZGDYSYLMZGLQ-UHFFFAOYSA-N
XLogP-1.04
TPSA142.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate with MolForge

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Related Compounds

[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate
CID 8900672
[2-(6-Amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] propanoate
CID 2112806
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2366142
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 2432056
[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2997708
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-methyl-2-[(2-methylbenzoyl)amino]pentanoate
CID 4660681
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 16533888
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-[(2,6-difluorobenzoyl)amino]-3-methylbutanoate
CID 24819948
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 24980941
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 25163656
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-benzamidoacetate
CID 2352044
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2355546

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 3960203) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is Cn1c(N)c(C(=O)COC(=O)CNC(=O)c2ccccc2F)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is XVZGDYSYLMZGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O6/c1-21-14(19)13(16(26)22(2)17(21)27)11(23)8-28-12(24)7-20-15(25)9-5-3-4-6-10(9)18/h3-6H,7-8,19H2,1-2H3,(H,20,25).
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 392.34 g/mol, XLogP of -1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 3960203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).