5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C12H8BrF3N2O3 — CID 115946480

IUPAC5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(F)(F)F)c(O)c1-c1ccccc1Br
InChIInChI=1S/C12H8BrF3N2O3/c13-7-4-2-1-3-6(7)8-9(19)17-11(21)18(10(8)20)5-12(14,15)16/h1-4,20H,5H2,(H,17,19,21)
InChIKeyTUBDSSOCBJPSDE-UHFFFAOYSA-N
MW365.11 g/mol
LogP2.23
Rot. Bonds2

About 5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 115946480) has the molecular formula C12H8BrF3N2O3 and a molecular weight of 365.11 g/mol. Its IUPAC name is 5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID115946480
Molecular FormulaC12H8BrF3N2O3
Molecular Weight365.11 g/mol
Exact Mass363.97
IUPAC Name5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC(F)(F)F)c(O)c1-c1ccccc1Br
InChIInChI=1S/C12H8BrF3N2O3/c13-7-4-2-1-3-6(7)8-9(19)17-11(21)18(10(8)20)5-12(14,15)16/h1-4,20H,5H2,(H,17,19,21)
InChIKeyTUBDSSOCBJPSDE-UHFFFAOYSA-N
XLogP2.23
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.11
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 115946480) is 5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC(F)(F)F)c(O)c1-c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is TUBDSSOCBJPSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O3/c13-7-4-2-1-3-6(7)8-9(19)17-11(21)18(10(8)20)5-12(14,15)16/h1-4,20H,5H2,(H,17,19,21).
What are the key properties of 5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 365.11 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115946480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).