5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one

C13H13ClFN3O — CID 175557907

IUPAC5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one
SMILESCc1cc(-c2nc(Cl)ncc2F)cn(C(C)C)c1=O
InChIInChI=1S/C13H13ClFN3O/c1-7(2)18-6-9(4-8(3)12(18)19)11-10(15)5-16-13(14)17-11/h4-7H,1-3H3
InChIKeyIFJDDNUAKBZGMK-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.99
Rot. Bonds2

About 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one

5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one (PubChem CID 175557907) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one
PubChem CID175557907
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one
SMILESCc1cc(-c2nc(Cl)ncc2F)cn(C(C)C)c1=O
InChIInChI=1S/C13H13ClFN3O/c1-7(2)18-6-9(4-8(3)12(18)19)11-10(15)5-16-13(14)17-11/h4-7H,1-3H3
InChIKeyIFJDDNUAKBZGMK-UHFFFAOYSA-N
XLogP2.99
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one 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 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one (CID 175557907) is 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one is Cc1cc(-c2nc(Cl)ncc2F)cn(C(C)C)c1=O.
What is the InChIKey of 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one?
The InChIKey is IFJDDNUAKBZGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-7(2)18-6-9(4-8(3)12(18)19)11-10(15)5-16-13(14)17-11/h4-7H,1-3H3.
What are the key properties of 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one?
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one has a molecular weight of 281.72 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 175557907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).