2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide

C8H8F3N3O3 — CID 71019132

IUPAC2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide
SMILESNC(=O)Cc1cc(=O)n(CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)3-14-6(16)2-4(1-5(12)15)13-7(14)17/h2H,1,3H2,(H2,12,15)(H,13,17)
InChIKeyNSNWZSZFHKQYDL-UHFFFAOYSA-N
MW251.16 g/mol
LogP-0.87
Rot. Bonds3

About 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide

2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide (PubChem CID 71019132) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide
PubChem CID71019132
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide
SMILESNC(=O)Cc1cc(=O)n(CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)3-14-6(16)2-4(1-5(12)15)13-7(14)17/h2H,1,3H2,(H2,12,15)(H,13,17)
InChIKeyNSNWZSZFHKQYDL-UHFFFAOYSA-N
XLogP-0.87
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide (CID 71019132) is 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide is NC(=O)Cc1cc(=O)n(CC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide?
The InChIKey is NSNWZSZFHKQYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c9-8(10,11)3-14-6(16)2-4(1-5(12)15)13-7(14)17/h2H,1,3H2,(H2,12,15)(H,13,17).
What are the key properties of 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide?
2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide has a molecular weight of 251.16 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide is sourced from PubChem (CID 71019132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).