2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C9H9ClF3N3O3 — CID 114585386

IUPAC2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1c(Cl)ncn(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C9H9ClF3N3O3/c1-19-6-7(10)15-4-16(8(6)18)2-5(17)14-3-9(11,12)13/h4H,2-3H2,1H3,(H,14,17)
InChIKeyFEUOBHAAGXZDTA-UHFFFAOYSA-N
MW299.64 g/mol
LogP0.58
Rot. Bonds4

About 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114585386) has the molecular formula C9H9ClF3N3O3 and a molecular weight of 299.64 g/mol. Its IUPAC name is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114585386
Molecular FormulaC9H9ClF3N3O3
Molecular Weight299.64 g/mol
Exact Mass299.03
IUPAC Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1c(Cl)ncn(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C9H9ClF3N3O3/c1-19-6-7(10)15-4-16(8(6)18)2-5(17)14-3-9(11,12)13/h4H,2-3H2,1H3,(H,14,17)
InChIKeyFEUOBHAAGXZDTA-UHFFFAOYSA-N
XLogP0.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.64
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide 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 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 114585386) is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is COc1c(Cl)ncn(CC(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FEUOBHAAGXZDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O3/c1-19-6-7(10)15-4-16(8(6)18)2-5(17)14-3-9(11,12)13/h4H,2-3H2,1H3,(H,14,17).
What are the key properties of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 299.64 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114585386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).