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

C12H9F3N2O2 — CID 137353586

IUPAC5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESCc1cn(-c2ccc(C(F)(F)F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H9F3N2O2/c1-7-6-17(11(19)16-10(7)18)9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,16,18,19)
InChIKeyGPSXPZANRPRONF-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.85
Rot. Bonds1

About 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione

5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (PubChem CID 137353586) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
PubChem CID137353586
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESCc1cn(-c2ccc(C(F)(F)F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H9F3N2O2/c1-7-6-17(11(19)16-10(7)18)9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,16,18,19)
InChIKeyGPSXPZANRPRONF-UHFFFAOYSA-N
XLogP1.85
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-[4-(trifluoromethyl)phenyl]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 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (CID 137353586) is 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is Cc1cn(-c2ccc(C(F)(F)F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The InChIKey is GPSXPZANRPRONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-7-6-17(11(19)16-10(7)18)9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,16,18,19).
What are the key properties of 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione has a molecular weight of 270.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 137353586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).