3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C11H5BrClF3N2O2 — CID 156716030

IUPAC3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]c(=O)n1-c1cc(Br)ccc1Cl
InChIInChI=1S/C11H5BrClF3N2O2/c12-5-1-2-6(13)7(3-5)18-9(19)4-8(11(14,15)16)17-10(18)20/h1-4H,(H,17,20)
InChIKeyTWTMALYIGTVKQP-UHFFFAOYSA-N
MW369.52 g/mol
LogP2.96
Rot. Bonds1

About 3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 156716030) has the molecular formula C11H5BrClF3N2O2 and a molecular weight of 369.52 g/mol. Its IUPAC name is 3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID156716030
Molecular FormulaC11H5BrClF3N2O2
Molecular Weight369.52 g/mol
Exact Mass367.92
IUPAC Name3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]c(=O)n1-c1cc(Br)ccc1Cl
InChIInChI=1S/C11H5BrClF3N2O2/c12-5-1-2-6(13)7(3-5)18-9(19)4-8(11(14,15)16)17-10(18)20/h1-4H,(H,17,20)
InChIKeyTWTMALYIGTVKQP-UHFFFAOYSA-N
XLogP2.96
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 156716030) is 3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1cc(Br)ccc1Cl.
What is the InChIKey of 3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is TWTMALYIGTVKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClF3N2O2/c12-5-1-2-6(13)7(3-5)18-9(19)4-8(11(14,15)16)17-10(18)20/h1-4H,(H,17,20).
What are the key properties of 3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 369.52 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 156716030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).