2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid

C10H13BrN2O5 — CID 175842623

IUPAC2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid
SMILESCOCCn1c(=O)c(Br)c(C)n(CC(=O)O)c1=O
InChIInChI=1S/C10H13BrN2O5/c1-6-8(11)9(16)12(3-4-18-2)10(17)13(6)5-7(14)15/h3-5H2,1-2H3,(H,14,15)
InChIKeyGQCXBJIPTKZYBE-UHFFFAOYSA-N
MW321.13 g/mol
LogP-0.19
Rot. Bonds5

About 2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid

2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid (PubChem CID 175842623) has the molecular formula C10H13BrN2O5 and a molecular weight of 321.13 g/mol. Its IUPAC name is 2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid
PubChem CID175842623
Molecular FormulaC10H13BrN2O5
Molecular Weight321.13 g/mol
Exact Mass320.00
IUPAC Name2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid
SMILESCOCCn1c(=O)c(Br)c(C)n(CC(=O)O)c1=O
InChIInChI=1S/C10H13BrN2O5/c1-6-8(11)9(16)12(3-4-18-2)10(17)13(6)5-7(14)15/h3-5H2,1-2H3,(H,14,15)
InChIKeyGQCXBJIPTKZYBE-UHFFFAOYSA-N
XLogP-0.19
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione
CID 20820376
methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 159573699
methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate
CID 141498859
1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 71196349
2-[5-(2,3-dimethylphenyl)-3-[2-(methoxymethoxy)ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid
CID 134261670
[1-(2-methoxyethyl)-5-methyl-2,4-dioxo-3-propylthieno[2,3-d]pyrimidin-6-yl] hydrogen carbonate
CID 118010974
[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]methyl acetate
CID 134261548
ethyl 2-[6-formyl-1-(2-methoxyethyl)-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 134318432
1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 138624759
(E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid
CID 82524768
5-ethyl-1-(2-methoxyethyl)-N,6-dimethyl-2-oxopyridine-3-carboxamide
CID 71179345
5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione
CID 107104127

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid (CID 175842623) is 2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid is COCCn1c(=O)c(Br)c(C)n(CC(=O)O)c1=O.
What is the InChIKey of 2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid?
The InChIKey is GQCXBJIPTKZYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O5/c1-6-8(11)9(16)12(3-4-18-2)10(17)13(6)5-7(14)15/h3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid?
2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid has a molecular weight of 321.13 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-(2-methoxyethyl)-6-methyl-2,4-dioxopyrimidin-1-yl]acetic acid is sourced from PubChem (CID 175842623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).