N-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide

C14H13F2N3O2 — CID 53014411

IUPACN-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)Nc2cc(F)ccc2F)c(=O)c1C
InChIInChI=1S/C14H13F2N3O2/c1-8-9(2)17-7-19(14(8)21)6-13(20)18-12-5-10(15)3-4-11(12)16/h3-5,7H,6H2,1-2H3,(H,18,20)
InChIKeyXFHTUALRUNMKDV-UHFFFAOYSA-N
MW293.27 g/mol
LogP1.78
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide

N-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 53014411) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID53014411
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC NameN-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)Nc2cc(F)ccc2F)c(=O)c1C
InChIInChI=1S/C14H13F2N3O2/c1-8-9(2)17-7-19(14(8)21)6-13(20)18-12-5-10(15)3-4-11(12)16/h3-5,7H,6H2,1-2H3,(H,18,20)
InChIKeyXFHTUALRUNMKDV-UHFFFAOYSA-N
XLogP1.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,5-difluorophenyl)-2-(4,5-dimethyl-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-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide (CID 53014411) is N-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide is Cc1ncn(CC(=O)Nc2cc(F)ccc2F)c(=O)c1C.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is XFHTUALRUNMKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-8-9(2)17-7-19(14(8)21)6-13(20)18-12-5-10(15)3-4-11(12)16/h3-5,7H,6H2,1-2H3,(H,18,20).
What are the key properties of N-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?
N-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 293.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 53014411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).