2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C10H12F3N3O3 — CID 66330529

IUPAC2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1cn(CC(=O)NCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H12F3N3O3/c1-2-6-3-16(9(19)15-8(6)18)4-7(17)14-5-10(11,12)13/h3H,2,4-5H2,1H3,(H,14,17)(H,15,18,19)
InChIKeyUGUUVHAYEWARNH-UHFFFAOYSA-N
MW279.22 g/mol
LogP-0.22
Rot. Bonds4

About 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66330529) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66330529
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1cn(CC(=O)NCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H12F3N3O3/c1-2-6-3-16(9(19)15-8(6)18)4-7(17)14-5-10(11,12)13/h3H,2,4-5H2,1H3,(H,14,17)(H,15,18,19)
InChIKeyUGUUVHAYEWARNH-UHFFFAOYSA-N
XLogP-0.22
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Aminoethyl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 4264356
N-methyl(1-thyminyl)acetamide
CID 60051046
N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
CID 91794706
5-(2,2,2-Trifluoroethyl)-uracil
CID 15276929
5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
CID 19099900
5-(2-Fluoroethyl)-1-methylpyrimidine-2,4-dione
CID 139660900
2-[2-[2,4-dioxo-5-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide
CID 141015010
5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione
CID 151623303
1,3-Dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione
CID 55174552
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60734844
5-Methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione
CID 65556943
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidine-2,4-dione
CID 65561752

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 66330529) is 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CCc1cn(CC(=O)NCC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UGUUVHAYEWARNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-2-6-3-16(9(19)15-8(6)18)4-7(17)14-5-10(11,12)13/h3H,2,4-5H2,1H3,(H,14,17)(H,15,18,19).
What are the key properties of 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 279.22 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66330529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).