5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione

C7H9BrN2O3 — CID 107104127

IUPAC5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione
SMILESCOCCn1c(=O)[nH]cc(Br)c1=O
InChIInChI=1S/C7H9BrN2O3/c1-13-3-2-10-6(11)5(8)4-9-7(10)12/h4H,2-3H2,1H3,(H,9,12)
InChIKeyLVXMZYVOYJWBPT-UHFFFAOYSA-N
MW249.06 g/mol
LogP-0.05
Rot. Bonds3

About 5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione

5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione (PubChem CID 107104127) has the molecular formula C7H9BrN2O3 and a molecular weight of 249.06 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione
PubChem CID107104127
Molecular FormulaC7H9BrN2O3
Molecular Weight249.06 g/mol
Exact Mass247.98
IUPAC Name5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione
SMILESCOCCn1c(=O)[nH]cc(Br)c1=O
InChIInChI=1S/C7H9BrN2O3/c1-13-3-2-10-6(11)5(8)4-9-7(10)12/h4H,2-3H2,1H3,(H,9,12)
InChIKeyLVXMZYVOYJWBPT-UHFFFAOYSA-N
XLogP-0.05
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.06
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-(3-methoxypropyl)-1H-pyrimidine-2,4-dione
CID 107104185
5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione
CID 107104128
5-bromo-3-(3-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione
CID 107104210
4-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylbutanamide
CID 107104246
6-amino-5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 2389933
5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione
CID 107104093
5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 58122374
5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 63778343
methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate
CID 141498859
methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 159573699
[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]methyl acetate
CID 134261548
5-bromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one
CID 104565670

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione (CID 107104127) is 5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione is COCCn1c(=O)[nH]cc(Br)c1=O.
What is the InChIKey of 5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is LVXMZYVOYJWBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O3/c1-13-3-2-10-6(11)5(8)4-9-7(10)12/h4H,2-3H2,1H3,(H,9,12).
What are the key properties of 5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione?
5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 249.06 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107104127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).