3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C15H10ClF3N2O3 — CID 18506645

IUPAC3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1cc(Cl)c2occ(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c2c1
InChIInChI=1S/C15H10ClF3N2O3/c1-7-3-8-10(6-24-13(8)9(16)4-7)21-12(22)5-11(15(17,18)19)20(2)14(21)23/h3-6H,1-2H3
InChIKeyKIFXIMPMAHCVKQ-UHFFFAOYSA-N
MW358.70 g/mol
LogP3.26
Rot. Bonds1

About 3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 18506645) has the molecular formula C15H10ClF3N2O3 and a molecular weight of 358.70 g/mol. Its IUPAC name is 3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID18506645
Molecular FormulaC15H10ClF3N2O3
Molecular Weight358.70 g/mol
Exact Mass358.03
IUPAC Name3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1cc(Cl)c2occ(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c2c1
InChIInChI=1S/C15H10ClF3N2O3/c1-7-3-8-10(6-24-13(8)9(16)4-7)21-12(22)5-11(15(17,18)19)20(2)14(21)23/h3-6H,1-2H3
InChIKeyKIFXIMPMAHCVKQ-UHFFFAOYSA-N
XLogP3.26
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.70
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(7-chloro-5-methylsulfanyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 18506655
methyl 7-chloro-3-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-1-benzofuran-5-carboxylate
CID 18506670
3-(7-chloro-5-prop-2-ynoxy-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 18506656
3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 23289190
3-(5-amino-2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 18365916
2,4-dichloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzaldehyde
CID 21266760
3-(7-chloro-5-fluoro-2-methyl-1-benzofuran-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 19026915
3-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-1-benzofuran-5-carbonitrile
CID 21131819
3-[2,4-dichloro-3-(trifluoromethylsulfanyl)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 134093648
ethyl 2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate
CID 12993856
3-(4-chloro-2-methyl-3-nitro-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 23289177
3-(4-chloro-2-fluoro-5-propylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 174518942

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 18506645) is 3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cc1cc(Cl)c2occ(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c2c1.
What is the InChIKey of 3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is KIFXIMPMAHCVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O3/c1-7-3-8-10(6-24-13(8)9(16)4-7)21-12(22)5-11(15(17,18)19)20(2)14(21)23/h3-6H,1-2H3.
What are the key properties of 3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 358.70 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-5-methyl-1-benzofuran-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 18506645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).