2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C8H7F3IN3O2 — CID 66309274

IUPAC2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cncc(I)c1=O)NCC(F)(F)F
InChIInChI=1S/C8H7F3IN3O2/c9-8(10,11)3-14-6(16)2-15-4-13-1-5(12)7(15)17/h1,4H,2-3H2,(H,14,16)
InChIKeyFFUXDGSKVQYFFU-UHFFFAOYSA-N
MW361.06 g/mol
LogP0.53
Rot. Bonds3

About 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66309274) has the molecular formula C8H7F3IN3O2 and a molecular weight of 361.06 g/mol. Its IUPAC name is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66309274
Molecular FormulaC8H7F3IN3O2
Molecular Weight361.06 g/mol
Exact Mass360.95
IUPAC Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cncc(I)c1=O)NCC(F)(F)F
InChIInChI=1S/C8H7F3IN3O2/c9-8(10,11)3-14-6(16)2-15-4-13-1-5(12)7(15)17/h1,4H,2-3H2,(H,14,16)
InChIKeyFFUXDGSKVQYFFU-UHFFFAOYSA-N
XLogP0.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.06
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(5-iodo-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-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 66309274) is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cncc(I)c1=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FFUXDGSKVQYFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3IN3O2/c9-8(10,11)3-14-6(16)2-15-4-13-1-5(12)7(15)17/h1,4H,2-3H2,(H,14,16).
What are the key properties of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 361.06 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66309274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).