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

C7H9BrN2O3 — CID 63778343

IUPAC5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C7H9BrN2O3/c1-13-3-2-10-4-5(8)6(11)9-7(10)12/h4H,2-3H2,1H3,(H,9,11,12)
InChIKeyJONOADGPKSPAJN-UHFFFAOYSA-N
MW249.06 g/mol
LogP-0.05
Rot. Bonds3

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

5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 63778343) has the molecular formula C7H9BrN2O3 and a molecular weight of 249.06 g/mol. Its IUPAC name is 5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID63778343
Molecular FormulaC7H9BrN2O3
Molecular Weight249.06 g/mol
Exact Mass247.98
IUPAC Name5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C7H9BrN2O3/c1-13-3-2-10-4-5(8)6(11)9-7(10)12/h4H,2-3H2,1H3,(H,9,11,12)
InChIKeyJONOADGPKSPAJN-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-1-octylpyrimidine-2,4-dione
CID 55237695
5-bromo-1-(2-hydroxy-3-methoxypropyl)pyrimidine-2,4-dione
CID 15539572
5-bromo-1-pent-3-ynylpyrimidine-2,4-dione
CID 104808254
5-bromo-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 64566764
5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione
CID 106801777
5-bromo-1-(2-phenylsulfanylethyl)pyrimidine-2,4-dione
CID 63778535
2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetaldehyde
CID 63776711
5-bromo-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 63779091
5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione
CID 113427652
1-[(E)-4-aminobut-2-enyl]-5-bromopyrimidine-2,4-dione
CID 66046583
1-(2-ethenoxyethyl)-5-methylpyrimidine-2,4-dione
CID 71327942
5-bromo-1-(2-chloroprop-2-enyl)pyrimidine-2,4-dione
CID 63776724

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 63778343) is 5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of 5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is JONOADGPKSPAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O3/c1-13-3-2-10-4-5(8)6(11)9-7(10)12/h4H,2-3H2,1H3,(H,9,11,12).
What are the key properties of 5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione?
5-bromo-1-(2-methoxyethyl)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-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63778343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).