methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate

C10H13BrN2O5 — CID 141498859

IUPACmethyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate
SMILESCOCCn1c(=O)c(Br)cn(CC(=O)OC)c1=O
InChIInChI=1S/C10H13BrN2O5/c1-17-4-3-13-9(15)7(11)5-12(10(13)16)6-8(14)18-2/h5H,3-4,6H2,1-2H3
InChIKeyCSTNJBWXEXGZPI-UHFFFAOYSA-N
MW321.13 g/mol
LogP-0.41
Rot. Bonds5

About methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate

methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate (PubChem CID 141498859) has the molecular formula C10H13BrN2O5 and a molecular weight of 321.13 g/mol. Its IUPAC name is methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate
PubChem CID141498859
Molecular FormulaC10H13BrN2O5
Molecular Weight321.13 g/mol
Exact Mass320.00
IUPAC Namemethyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate
SMILESCOCCn1c(=O)c(Br)cn(CC(=O)OC)c1=O
InChIInChI=1S/C10H13BrN2O5/c1-17-4-3-13-9(15)7(11)5-12(10(13)16)6-8(14)18-2/h5H,3-4,6H2,1-2H3
InChIKeyCSTNJBWXEXGZPI-UHFFFAOYSA-N
XLogP-0.41
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate with MolForge

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Related Compounds

methyl 2-[5-bromo-3-(2-methylsulfanylethyl)-2,4-dioxopyrimidin-1-yl]acetate
CID 141498875
[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]methyl acetate
CID 134261548
methyl 2-[5-bromo-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate
CID 141498845
5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione
CID 91619204
2-[5-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid
CID 121437344
methyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate
CID 141498865
2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid
CID 175842623
methyl 2-[5-(bromomethyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetate
CID 141498816
5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione
CID 107104127
methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
CID 63800107
1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione
CID 20820376
5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 63778343

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate?
The IUPAC name of methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate (CID 141498859) is methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate?
The canonical SMILES for methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate is COCCn1c(=O)c(Br)cn(CC(=O)OC)c1=O.
What is the InChIKey of methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate?
The InChIKey is CSTNJBWXEXGZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O5/c1-17-4-3-13-9(15)7(11)5-12(10(13)16)6-8(14)18-2/h5H,3-4,6H2,1-2H3.
What are the key properties of methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate?
methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate has a molecular weight of 321.13 g/mol, XLogP of -0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate is sourced from PubChem (CID 141498859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).