5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C9H9F3N2O3 — CID 80649965

IUPAC5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C9H9F3N2O3/c1-5(15)6-3-14(4-9(10,11)12)8(17)13(2)7(6)16/h3H,4H2,1-2H3
InChIKeyBCTLOCIXGRDKJM-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.31
Rot. Bonds2

About 5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 80649965) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID80649965
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C9H9F3N2O3/c1-5(15)6-3-14(4-9(10,11)12)8(17)13(2)7(6)16/h3H,4H2,1-2H3
InChIKeyBCTLOCIXGRDKJM-UHFFFAOYSA-N
XLogP0.31
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 80649965) is 5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is CC(=O)c1cn(CC(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is BCTLOCIXGRDKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c1-5(15)6-3-14(4-9(10,11)12)8(17)13(2)7(6)16/h3H,4H2,1-2H3.
What are the key properties of 5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 250.18 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 80649965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).