1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione

C10H8F6N2O3 — CID 103309360

IUPAC1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione
SMILESCn1cc(C(=O)C(C(F)(F)F)C(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H8F6N2O3/c1-17-3-4(7(20)18(2)8(17)21)5(19)6(9(11,12)13)10(14,15)16/h3,6H,1-2H3
InChIKeyMTNCVKURUOFAPU-UHFFFAOYSA-N
MW318.17 g/mol
LogP1.01
Rot. Bonds2

About 1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione (PubChem CID 103309360) has the molecular formula C10H8F6N2O3 and a molecular weight of 318.17 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione
PubChem CID103309360
Molecular FormulaC10H8F6N2O3
Molecular Weight318.17 g/mol
Exact Mass318.04
IUPAC Name1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione
SMILESCn1cc(C(=O)C(C(F)(F)F)C(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H8F6N2O3/c1-17-3-4(7(20)18(2)8(17)21)5(19)6(9(11,12)13)10(14,15)16/h3,6H,1-2H3
InChIKeyMTNCVKURUOFAPU-UHFFFAOYSA-N
XLogP1.01
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]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-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione (CID 103309360) is 1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione is Cn1cc(C(=O)C(C(F)(F)F)C(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione?
The InChIKey is MTNCVKURUOFAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2O3/c1-17-3-4(7(20)18(2)8(17)21)5(19)6(9(11,12)13)10(14,15)16/h3,6H,1-2H3.
What are the key properties of 1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione has a molecular weight of 318.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 103309360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).