2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H14F3N3O3 — CID 63811094

IUPAC2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCn1ccc(=O)n(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C11H14F3N3O3/c1-2-4-16-5-3-9(19)17(10(16)20)6-8(18)15-7-11(12,13)14/h3,5H,2,4,6-7H2,1H3,(H,15,18)
InChIKeyVXAIVZSMLHLEJS-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.10
Rot. Bonds5

About 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63811094) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63811094
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCn1ccc(=O)n(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C11H14F3N3O3/c1-2-4-16-5-3-9(19)17(10(16)20)6-8(18)15-7-11(12,13)14/h3,5H,2,4,6-7H2,1H3,(H,15,18)
InChIKeyVXAIVZSMLHLEJS-UHFFFAOYSA-N
XLogP0.10
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide
CID 10241815
N,N-diethyl-2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 296426
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
N-Butyl-2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-YL)acetamide
CID 30766948
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide
CID 47085194
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-hexylacetamide
CID 12844138
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 129081754
5-fluoro-N-[2-(methylamino)-2-oxoethyl]-2,4-dioxopyrimidine-1-carboxamide
CID 129081755
2-[2-[2,4-dioxo-5-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide
CID 141015010
2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide
CID 141015012
5-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidine-2,4-dione
CID 156340837
1-(3,3-Difluoropropyl)pyrimidine-2,4-dione
CID 164871461

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 63811094) is 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CCCn1ccc(=O)n(CC(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VXAIVZSMLHLEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-2-4-16-5-3-9(19)17(10(16)20)6-8(18)15-7-11(12,13)14/h3,5H,2,4,6-7H2,1H3,(H,15,18).
What are the key properties of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 293.25 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63811094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).