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

C12H9F3N2O2 — CID 57080745

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2ccccc2C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)7-17-6-5-10(18)16-11(17)19/h1-6H,7H2,(H,16,18,19)
InChIKeyBMFLSPAKGSXKED-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.60
Rot. Bonds2

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

1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 57080745) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
PubChem CID57080745
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2ccccc2C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)7-17-6-5-10(18)16-11(17)19/h1-6H,7H2,(H,16,18,19)
InChIKeyBMFLSPAKGSXKED-UHFFFAOYSA-N
XLogP1.60
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dioxopyrimidin-1-yl)methyl]benzenecarbothioamide
CID 43120914
1-[(3-amino-2-bromophenyl)methyl]pyrimidine-2,4-dione
CID 114048549
5-sulfanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazolidin-3-one
CID 62881173
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 63810752
4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
CID 117209050
2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile
CID 71915316
6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 115947931
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
1-(2-fluoroethyl)pyrimidine-2,4-dione
CID 80694010
3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 71977050
1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
CID 154703356

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione (CID 57080745) is 1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione is O=c1ccn(Cc2ccccc2C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is BMFLSPAKGSXKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)7-17-6-5-10(18)16-11(17)19/h1-6H,7H2,(H,16,18,19).
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 270.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 57080745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).