3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C19H12Cl2F4N2O2 — CID 134125708

IUPAC3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]c(=O)n1Cc1cc(Cl)cc(Cl)c1Cc1ccc(F)cc1
InChIInChI=1S/C19H12Cl2F4N2O2/c20-12-6-11(9-27-17(28)8-16(19(23,24)25)26-18(27)29)14(15(21)7-12)5-10-1-3-13(22)4-2-10/h1-4,6-8H,5,9H2,(H,26,29)
InChIKeySCTSAQTVMHTJRC-UHFFFAOYSA-N
MW447.22 g/mol
LogP4.64
Rot. Bonds4

About 3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 134125708) has the molecular formula C19H12Cl2F4N2O2 and a molecular weight of 447.22 g/mol. Its IUPAC name is 3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID134125708
Molecular FormulaC19H12Cl2F4N2O2
Molecular Weight447.22 g/mol
Exact Mass446.02
IUPAC Name3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]c(=O)n1Cc1cc(Cl)cc(Cl)c1Cc1ccc(F)cc1
InChIInChI=1S/C19H12Cl2F4N2O2/c20-12-6-11(9-27-17(28)8-16(19(23,24)25)26-18(27)29)14(15(21)7-12)5-10-1-3-13(22)4-2-10/h1-4,6-8H,5,9H2,(H,26,29)
InChIKeySCTSAQTVMHTJRC-UHFFFAOYSA-N
XLogP4.64
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.22
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 15346044
3-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 17770278
3-[(2,6-dichlorophenyl)methyl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrimidine-1-carboxamide
CID 21089134
3-[(4-chloronaphthalen-1-yl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 69900483
3-[(4-Chlorophenyl)methyl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione
CID 129197950
3-[2-(4-Chlorophenyl)propan-2-yl]-1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 129197952
3-[2-(4-Chlorophenyl)propan-2-yl]-6-(4-fluorophenyl)-1-methylpyrimidine-2,4-dione
CID 129197965
3-[2-(4-chlorophenyl)propan-2-yl]-6-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione
CID 130182856
3-[1-(4-chlorophenyl)ethyl]-5-fluoro-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 141917491
1-amino-2-[2,4-bis(trifluoromethyl)phenyl]-5-chloro-3-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2H-pyrimidin-4-one
CID 172765439
5-[(2,4-Dichlorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 1309537
(5E)-5-(2,4-dichlorobenzylidene)-3-(2-fluorobenzyl)imidazolidine-2,4-dione
CID 2190704

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 134125708) is 3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is O=c1cc(C(F)(F)F)[nH]c(=O)n1Cc1cc(Cl)cc(Cl)c1Cc1ccc(F)cc1.
What is the InChIKey of 3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is SCTSAQTVMHTJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F4N2O2/c20-12-6-11(9-27-17(28)8-16(19(23,24)25)26-18(27)29)14(15(21)7-12)5-10-1-3-13(22)4-2-10/h1-4,6-8H,5,9H2,(H,26,29).
What are the key properties of 3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 447.22 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-2-[(4-fluorophenyl)methyl]phenyl]methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 134125708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).