6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione

C14H13F3N2O2 — CID 20719087

IUPAC6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1cc(C)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cc1C
InChIInChI=1S/C14H13F3N2O2/c1-7-4-9(3)10(5-8(7)2)19-12(20)6-11(14(15,16)17)18-13(19)21/h4-6H,1-3H3,(H,18,21)
InChIKeyHWAIDKUELBEQGK-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.47
Rot. Bonds1

About 6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione

6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 20719087) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID20719087
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1cc(C)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cc1C
InChIInChI=1S/C14H13F3N2O2/c1-7-4-9(3)10(5-8(7)2)19-12(20)6-11(14(15,16)17)18-13(19)21/h4-6H,1-3H3,(H,18,21)
InChIKeyHWAIDKUELBEQGK-UHFFFAOYSA-N
XLogP2.47
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione (CID 20719087) is 6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione is Cc1cc(C)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cc1C.
What is the InChIKey of 6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is HWAIDKUELBEQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-7-4-9(3)10(5-8(7)2)19-12(20)6-11(14(15,16)17)18-13(19)21/h4-6H,1-3H3,(H,18,21).
What are the key properties of 6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione?
6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 298.26 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3-(2,4,5-trimethylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 20719087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).