5-bromo-6-ethyl-1H-pyrimidine-2,4-dione

C6H7BrN2O2 — CID 13384065

IUPAC5-bromo-6-ethyl-1H-pyrimidine-2,4-dione
SMILESCCc1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C6H7BrN2O2/c1-2-3-4(7)5(10)9-6(11)8-3/h2H2,1H3,(H2,8,9,10,11)
InChIKeyIATIGENTEQUFJC-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.39
Rot. Bonds1

About 5-bromo-6-ethyl-1H-pyrimidine-2,4-dione

5-bromo-6-ethyl-1H-pyrimidine-2,4-dione (PubChem CID 13384065) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 5-bromo-6-ethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-6-ethyl-1H-pyrimidine-2,4-dione
PubChem CID13384065
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name5-bromo-6-ethyl-1H-pyrimidine-2,4-dione
SMILESCCc1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C6H7BrN2O2/c1-2-3-4(7)5(10)9-6(11)8-3/h2H2,1H3,(H2,8,9,10,11)
InChIKeyIATIGENTEQUFJC-UHFFFAOYSA-N
XLogP0.39
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-6-ethyl-1H-pyrimidine-2,4-dione (CID 13384065) is 5-bromo-6-ethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-6-ethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-6-ethyl-1H-pyrimidine-2,4-dione is CCc1[nH]c(=O)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-1H-pyrimidine-2,4-dione?
The InChIKey is IATIGENTEQUFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c1-2-3-4(7)5(10)9-6(11)8-3/h2H2,1H3,(H2,8,9,10,11).
What are the key properties of 5-bromo-6-ethyl-1H-pyrimidine-2,4-dione?
5-bromo-6-ethyl-1H-pyrimidine-2,4-dione has a molecular weight of 219.04 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 13384065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).