5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione

C7H9BrN2O3 — CID 23273781

IUPAC5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCOn1c(=O)[nH]c(C)c(Br)c1=O
InChIInChI=1S/C7H9BrN2O3/c1-3-13-10-6(11)5(8)4(2)9-7(10)12/h3H2,1-2H3,(H,9,12)
InChIKeyJOHGFCPCJOIGEV-UHFFFAOYSA-N
MW249.06 g/mol
LogP0.06
Rot. Bonds2

About 5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione

5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 23273781) has the molecular formula C7H9BrN2O3 and a molecular weight of 249.06 g/mol. Its IUPAC name is 5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID23273781
Molecular FormulaC7H9BrN2O3
Molecular Weight249.06 g/mol
Exact Mass247.98
IUPAC Name5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCOn1c(=O)[nH]c(C)c(Br)c1=O
InChIInChI=1S/C7H9BrN2O3/c1-3-13-10-6(11)5(8)4(2)9-7(10)12/h3H2,1-2H3,(H,9,12)
InChIKeyJOHGFCPCJOIGEV-UHFFFAOYSA-N
XLogP0.06
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.06
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione (CID 23273781) is 5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione is CCOn1c(=O)[nH]c(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is JOHGFCPCJOIGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O3/c1-3-13-10-6(11)5(8)4(2)9-7(10)12/h3H2,1-2H3,(H,9,12).
What are the key properties of 5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione?
5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 249.06 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethoxy-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23273781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).