6-chloro-3-(2-fluoroethyl)pyrimidin-4-one

C6H6ClFN2O — CID 114582310

IUPAC6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCF
InChIInChI=1S/C6H6ClFN2O/c7-5-3-6(11)10(2-1-8)4-9-5/h3-4H,1-2H2
InChIKeyKRFSKSKLRULMEW-UHFFFAOYSA-N
MW176.58 g/mol
LogP0.87
Rot. Bonds2

About 6-chloro-3-(2-fluoroethyl)pyrimidin-4-one

6-chloro-3-(2-fluoroethyl)pyrimidin-4-one (PubChem CID 114582310) has the molecular formula C6H6ClFN2O and a molecular weight of 176.58 g/mol. Its IUPAC name is 6-chloro-3-(2-fluoroethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
PubChem CID114582310
Molecular FormulaC6H6ClFN2O
Molecular Weight176.58 g/mol
Exact Mass176.02
IUPAC Name6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCF
InChIInChI=1S/C6H6ClFN2O/c7-5-3-6(11)10(2-1-8)4-9-5/h3-4H,1-2H2
InChIKeyKRFSKSKLRULMEW-UHFFFAOYSA-N
XLogP0.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.58
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-(2-fluoroethyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-3-methylpyrimidin-4(3H)-one
CID 4366471
6-Fluoro-3-methyl-4-pyrimidinone
CID 129719242
3-Ethyl-6-fluoropyrimidin-4-one
CID 76852624
6-Chloro-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114581628
6-Chloro-3-(difluoromethyl)-2-methylpyrimidin-4-one
CID 114581758
6-Chloro-3-(2,2-difluoroethyl)-2-methylpyrimidin-4-one
CID 114581781
6-Chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one
CID 114581875
6-Chloro-3-(3-fluoropropyl)-2-methylpyrimidin-4-one
CID 114581954
6-Chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582043
6-Chloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114582055
6-Chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114582148
6-Chloro-3-(difluoromethyl)pyrimidin-4(3H)-one
CID 114582186

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-fluoroethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-fluoroethyl)pyrimidin-4-one (CID 114582310) is 6-chloro-3-(2-fluoroethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-fluoroethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-fluoroethyl)pyrimidin-4-one is O=c1cc(Cl)ncn1CCF.
What is the InChIKey of 6-chloro-3-(2-fluoroethyl)pyrimidin-4-one?
The InChIKey is KRFSKSKLRULMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O/c7-5-3-6(11)10(2-1-8)4-9-5/h3-4H,1-2H2.
What are the key properties of 6-chloro-3-(2-fluoroethyl)pyrimidin-4-one?
6-chloro-3-(2-fluoroethyl)pyrimidin-4-one has a molecular weight of 176.58 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-fluoroethyl)pyrimidin-4-one is sourced from PubChem (CID 114582310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).