1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione

C19H15F3N2O3 — CID 141088850

IUPAC1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2ccc(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1
InChIInChI=1S/C19H15F3N2O3/c1-27-16-7-5-13(6-8-16)12-23-10-9-17(25)24(18(23)26)15-4-2-3-14(11-15)19(20,21)22/h2-11H,12H2,1H3
InChIKeyFNTCKECMXLFDGN-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.07
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione

1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (PubChem CID 141088850) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
PubChem CID141088850
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2ccc(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1
InChIInChI=1S/C19H15F3N2O3/c1-27-16-7-5-13(6-8-16)12-23-10-9-17(25)24(18(23)26)15-4-2-3-14(11-15)19(20,21)22/h2-11H,12H2,1H3
InChIKeyFNTCKECMXLFDGN-UHFFFAOYSA-N
XLogP3.07
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035768
1-[(4-methoxyphenyl)methyl]-3-[(4-phenylphenyl)methyl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 53346543
2-(4-methoxyphenyl)-N-[[5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]acetamide
CID 5055531
(4aS,7aR)-1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 11886510
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 54736914
5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 141151683
1-ethyl-3-(3-methoxyphenyl)-7-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
CID 46060766
3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 51362120
3-[(4-methoxyphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
CID 58578898
1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819
N-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide
CID 162207380
(3S)-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93331629

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (CID 141088850) is 1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is COc1ccc(Cn2ccc(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The InChIKey is FNTCKECMXLFDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-27-16-7-5-13(6-8-16)12-23-10-9-17(25)24(18(23)26)15-4-2-3-14(11-15)19(20,21)22/h2-11H,12H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione has a molecular weight of 376.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 141088850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).