5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione

C5H4BrClN2O2 — CID 10933591

IUPAC5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(CCl)c(Br)c(=O)[nH]1
InChIInChI=1S/C5H4BrClN2O2/c6-3-2(1-7)8-5(11)9-4(3)10/h1H2,(H2,8,9,10,11)
InChIKeyUWWZGJCOEQUIHN-UHFFFAOYSA-N
MW239.46 g/mol
LogP0.56
Rot. Bonds1

About 5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione

5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 10933591) has the molecular formula C5H4BrClN2O2 and a molecular weight of 239.46 g/mol. Its IUPAC name is 5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione
PubChem CID10933591
Molecular FormulaC5H4BrClN2O2
Molecular Weight239.46 g/mol
Exact Mass237.91
IUPAC Name5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(CCl)c(Br)c(=O)[nH]1
InChIInChI=1S/C5H4BrClN2O2/c6-3-2(1-7)8-5(11)9-4(3)10/h1H2,(H2,8,9,10,11)
InChIKeyUWWZGJCOEQUIHN-UHFFFAOYSA-N
XLogP0.56
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.46
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione (CID 10933591) is 5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(CCl)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is UWWZGJCOEQUIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2O2/c6-3-2(1-7)8-5(11)9-4(3)10/h1H2,(H2,8,9,10,11).
What are the key properties of 5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione?
5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 239.46 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10933591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).