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

C18H19F3N2O3 — CID 20719080

IUPAC3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)C(C)Cc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(C)cc1C
InChIInChI=1S/C18H19F3N2O3/c1-9(12(4)24)6-13-7-14(11(3)5-10(13)2)23-16(25)8-15(18(19,20)21)22-17(23)26/h5,7-9H,6H2,1-4H3,(H,22,26)
InChIKeyJIGVZHIHDVXYHK-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.93
Rot. Bonds4

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

3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 20719080) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID20719080
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)C(C)Cc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(C)cc1C
InChIInChI=1S/C18H19F3N2O3/c1-9(12(4)24)6-13-7-14(11(3)5-10(13)2)23-16(25)8-15(18(19,20)21)22-17(23)26/h5,7-9H,6H2,1-4H3,(H,22,26)
InChIKeyJIGVZHIHDVXYHK-UHFFFAOYSA-N
XLogP2.93
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 20719080) is 3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is CC(=O)C(C)Cc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(C)cc1C.
What is the InChIKey of 3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is JIGVZHIHDVXYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-9(12(4)24)6-13-7-14(11(3)5-10(13)2)23-16(25)8-15(18(19,20)21)22-17(23)26/h5,7-9H,6H2,1-4H3,(H,22,26).
What are the key properties of 3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 368.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 20719080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).