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

C16H15Cl2N3O5 — CID 2476643

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESCn1c(N)c(C(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c(=O)n(C)c1=O
InChIInChI=1S/C16H15Cl2N3O5/c1-20-14(19)13(15(24)21(2)16(20)25)11(22)7-26-12(23)6-8-3-4-9(17)10(18)5-8/h3-5H,6-7,19H2,1-2H3
InChIKeyASVGLZYLPBWBQG-UHFFFAOYSA-N
MW400.22 g/mol
LogP0.94
Rot. Bonds5

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

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (PubChem CID 2476643) has the molecular formula C16H15Cl2N3O5 and a molecular weight of 400.22 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
PubChem CID2476643
Molecular FormulaC16H15Cl2N3O5
Molecular Weight400.22 g/mol
Exact Mass399.04
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESCn1c(N)c(C(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c(=O)n(C)c1=O
InChIInChI=1S/C16H15Cl2N3O5/c1-20-14(19)13(15(24)21(2)16(20)25)11(22)7-26-12(23)6-8-3-4-9(17)10(18)5-8/h3-5H,6-7,19H2,1-2H3
InChIKeyASVGLZYLPBWBQG-UHFFFAOYSA-N
XLogP0.94
TPSA113.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 6268919
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2342536
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-phenylacetate
CID 4171879
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 4788291
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4361335
[2-[4-Amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-chlorobenzoate
CID 2097323
[2-[4-Amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 3-chlorobenzoate
CID 2103461
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 3457109
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] (E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate
CID 2477658
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate
CID 3508772
[2-(6-Amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7699325
[2-(6-Amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718328

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (CID 2476643) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is Cn1c(N)c(C(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)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-(3,4-dichlorophenyl)acetate?
The InChIKey is ASVGLZYLPBWBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O5/c1-20-14(19)13(15(24)21(2)16(20)25)11(22)7-26-12(23)6-8-3-4-9(17)10(18)5-8/h3-5H,6-7,19H2,1-2H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate has a molecular weight of 400.22 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 2476643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).