N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide

C8H8F3N3O3 — CID 144718986

IUPACN-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1c[nH]c(=O)[nH]c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C8H8F3N3O3/c1-14(6(16)8(9,10)11)3-4-2-12-7(17)13-5(4)15/h2H,3H2,1H3,(H2,12,13,15,17)
InChIKeyCTRBZBKLTMSSIU-UHFFFAOYSA-N
MW251.16 g/mol
LogP-0.42
Rot. Bonds2

About N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide

N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 144718986) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID144718986
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC NameN-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1c[nH]c(=O)[nH]c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C8H8F3N3O3/c1-14(6(16)8(9,10)11)3-4-2-12-7(17)13-5(4)15/h2H,3H2,1H3,(H2,12,13,15,17)
InChIKeyCTRBZBKLTMSSIU-UHFFFAOYSA-N
XLogP-0.42
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide 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 N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide (CID 144718986) is N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide is CN(Cc1c[nH]c(=O)[nH]c1=O)C(=O)C(F)(F)F.
What is the InChIKey of N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is CTRBZBKLTMSSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c1-14(6(16)8(9,10)11)3-4-2-12-7(17)13-5(4)15/h2H,3H2,1H3,(H2,12,13,15,17).
What are the key properties of N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 251.16 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 144718986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).