1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione

C6H6BrFN2O2 — CID 130577255

IUPAC1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCBr)cc1F
InChIInChI=1S/C6H6BrFN2O2/c7-1-2-10-3-4(8)5(11)9-6(10)12/h3H,1-2H2,(H,9,11,12)
InChIKeyQXISKGYVJDVOMC-UHFFFAOYSA-N
MW237.03 g/mol
LogP0.07
Rot. Bonds2

About 1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione

1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 130577255) has the molecular formula C6H6BrFN2O2 and a molecular weight of 237.03 g/mol. Its IUPAC name is 1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione
PubChem CID130577255
Molecular FormulaC6H6BrFN2O2
Molecular Weight237.03 g/mol
Exact Mass235.96
IUPAC Name1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCBr)cc1F
InChIInChI=1S/C6H6BrFN2O2/c7-1-2-10-3-4(8)5(11)9-6(10)12/h3H,1-2H2,(H,9,11,12)
InChIKeyQXISKGYVJDVOMC-UHFFFAOYSA-N
XLogP0.07
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.03
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Fluorouracil
CID 3385
5-Bromouracil
CID 5802
1-Methyl-5-bromouracil
CID 73276
5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
CID 489887
5-Fluoro-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 78957
1-Acetyl-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 277733
5-fluoro-3-methyl-1H-pyrimidine-2,4-dione
CID 330104
1-Allyl-5-fluorouracil
CID 342611
5-Fluorouracil-15N2
CID 16213520
1-Acetyl-5-bromopyrimidine-2,4-dione
CID 122185233
5-(fluoro-18F)pyrimidine-2,4(1H,3H)-dione
CID 450213
3-Acetyl-5-fluorouracil
CID 126516

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione (CID 130577255) is 1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCBr)cc1F.
What is the InChIKey of 1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is QXISKGYVJDVOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2O2/c7-1-2-10-3-4(8)5(11)9-6(10)12/h3H,1-2H2,(H,9,11,12).
What are the key properties of 1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione?
1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 237.03 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 130577255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).