5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione

C11H11Br2ClN2O3 — CID 87475387

IUPAC5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione
SMILESC=C(Br)c1cn([C@H]2CC(Cl)[C@@H](CBr)O2)c(=O)[nH]c1=O
InChIInChI=1S/C11H11Br2ClN2O3/c1-5(13)6-4-16(11(18)15-10(6)17)9-2-7(14)8(3-12)19-9/h4,7-9H,1-3H2,(H,15,17,18)/t7?,8-,9-/m1/s1
InChIKeyFPAXZGMPFHCPJJ-CFCGPWAMSA-N
MW414.48 g/mol
LogP2.19
Rot. Bonds3

About 5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione

5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 87475387) has the molecular formula C11H11Br2ClN2O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is 5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione
PubChem CID87475387
Molecular FormulaC11H11Br2ClN2O3
Molecular Weight414.48 g/mol
Exact Mass411.88
IUPAC Name5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione
SMILESC=C(Br)c1cn([C@H]2CC(Cl)[C@@H](CBr)O2)c(=O)[nH]c1=O
InChIInChI=1S/C11H11Br2ClN2O3/c1-5(13)6-4-16(11(18)15-10(6)17)9-2-7(14)8(3-12)19-9/h4,7-9H,1-3H2,(H,15,17,18)/t7?,8-,9-/m1/s1
InChIKeyFPAXZGMPFHCPJJ-CFCGPWAMSA-N
XLogP2.19
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,5R)-5-(azidomethyl)-4-chlorooxolan-2-yl]-5-(1-bromoethenyl)pyrimidine-2,4-dione
CID 118413056
1-[(2R,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-5-(1-bromoethenyl)pyrimidine-2,4-dione
CID 87478469
1-[4-chloro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14035977
5-[(E)-2-bromoethenyl]-1-[4-chloro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 21157930
5-(2-bromoethyl)-1-[(2R,4S,5S)-5-(bromomethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 514818
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-methylprop-2-enoyl)pyrimidine-2,4-dione
CID 67939748
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-phenylethenyl)pyrimidine-2,4-dione
CID 11782475
1-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-N-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 174181889
5-[(E)-1-chloroprop-1-en-2-yl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6479140
[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylazanium
CID 7272008
5-bromo-1-[(2S,5S)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]pyrimidine-2,4-dione
CID 57050849
5-bromo-1-[(2R,5R)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]pyrimidine-2,4-dione
CID 89322221

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione (CID 87475387) is 5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione is C=C(Br)c1cn([C@H]2CC(Cl)[C@@H](CBr)O2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is FPAXZGMPFHCPJJ-CFCGPWAMSA-N. The full InChI is InChI=1S/C11H11Br2ClN2O3/c1-5(13)6-4-16(11(18)15-10(6)17)9-2-7(14)8(3-12)19-9/h4,7-9H,1-3H2,(H,15,17,18)/t7?,8-,9-/m1/s1.
What are the key properties of 5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione?
5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 414.48 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromoethenyl)-1-[(2R,5S)-5-(bromomethyl)-4-chlorooxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 87475387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).