1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione

C8H7F3N2O3 — CID 81430473

IUPAC1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
SMILESCn1cc(C(=O)C(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C8H7F3N2O3/c1-12-3-4(5(14)8(9,10)11)6(15)13(2)7(12)16/h3H,1-2H3
InChIKeyLHUXLZGFERPVQA-UHFFFAOYSA-N
MW236.15 g/mol
LogP-0.17
Rot. Bonds1

About 1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione

1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione (PubChem CID 81430473) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
PubChem CID81430473
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
SMILESCn1cc(C(=O)C(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C8H7F3N2O3/c1-12-3-4(5(14)8(9,10)11)6(15)13(2)7(12)16/h3H,1-2H3
InChIKeyLHUXLZGFERPVQA-UHFFFAOYSA-N
XLogP-0.17
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-5-(2,2,2-trifluoroacetyl)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 1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione (CID 81430473) is 1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione is Cn1cc(C(=O)C(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
The InChIKey is LHUXLZGFERPVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-12-3-4(5(14)8(9,10)11)6(15)13(2)7(12)16/h3H,1-2H3.
What are the key properties of 1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione has a molecular weight of 236.15 g/mol, XLogP of -0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 81430473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).