3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C13H7Cl2F3N2O3 — CID 134125670

IUPAC3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(C(=O)c2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C13H7Cl2F3N2O3/c1-19-9(13(16,17)18)5-10(21)20(12(19)23)11(22)6-2-3-7(14)8(15)4-6/h2-5H,1H3
InChIKeyAMCVHGLIBRPOHN-UHFFFAOYSA-N
MW367.11 g/mol
LogP2.56
Rot. Bonds1

About 3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 134125670) has the molecular formula C13H7Cl2F3N2O3 and a molecular weight of 367.11 g/mol. Its IUPAC name is 3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID134125670
Molecular FormulaC13H7Cl2F3N2O3
Molecular Weight367.11 g/mol
Exact Mass365.98
IUPAC Name3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(C(=O)c2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C13H7Cl2F3N2O3/c1-19-9(13(16,17)18)5-10(21)20(12(19)23)11(22)6-2-3-7(14)8(15)4-6/h2-5H,1H3
InChIKeyAMCVHGLIBRPOHN-UHFFFAOYSA-N
XLogP2.56
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.11
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 134125670) is 3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(C(=O)c2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of 3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is AMCVHGLIBRPOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3N2O3/c1-19-9(13(16,17)18)5-10(21)20(12(19)23)11(22)6-2-3-7(14)8(15)4-6/h2-5H,1H3.
What are the key properties of 3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 367.11 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorobenzoyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 134125670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).