N-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide

C15H16FN3O2 — CID 53014425

IUPACN-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1nc(C)n(CC(=O)Nc2ccccc2F)c(=O)c1C
InChIInChI=1S/C15H16FN3O2/c1-9-10(2)17-11(3)19(15(9)21)8-14(20)18-13-7-5-4-6-12(13)16/h4-7H,8H2,1-3H3,(H,18,20)
InChIKeyZYAUBWYRJUDCMR-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.95
Rot. Bonds3

About N-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide

N-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 53014425) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID53014425
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1nc(C)n(CC(=O)Nc2ccccc2F)c(=O)c1C
InChIInChI=1S/C15H16FN3O2/c1-9-10(2)17-11(3)19(15(9)21)8-14(20)18-13-7-5-4-6-12(13)16/h4-7H,8H2,1-3H3,(H,18,20)
InChIKeyZYAUBWYRJUDCMR-UHFFFAOYSA-N
XLogP1.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)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 N-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide (CID 53014425) is N-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide is Cc1nc(C)n(CC(=O)Nc2ccccc2F)c(=O)c1C.
What is the InChIKey of N-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is ZYAUBWYRJUDCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-9-10(2)17-11(3)19(15(9)21)8-14(20)18-13-7-5-4-6-12(13)16/h4-7H,8H2,1-3H3,(H,18,20).
What are the key properties of N-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide?
N-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 289.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 53014425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).