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

C6H5BrClFN2O — CID 114583599

IUPAC5-bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CCF
InChIInChI=1S/C6H5BrClFN2O/c7-4-5(8)10-3-11(2-1-9)6(4)12/h3H,1-2H2
InChIKeyBYYYFKYKFQMLEO-UHFFFAOYSA-N
MW255.47 g/mol
LogP1.63
Rot. Bonds2

About 5-bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one

5-bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one (PubChem CID 114583599) has the molecular formula C6H5BrClFN2O and a molecular weight of 255.47 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
PubChem CID114583599
Molecular FormulaC6H5BrClFN2O
Molecular Weight255.47 g/mol
Exact Mass253.93
IUPAC Name5-bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CCF
InChIInChI=1S/C6H5BrClFN2O/c7-4-5(8)10-3-11(2-1-9)6(4)12/h3H,1-2H2
InChIKeyBYYYFKYKFQMLEO-UHFFFAOYSA-N
XLogP1.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-6-chloro-3-methyl-3,4-dihydropyrimidin-4-one
CID 15058925
5-Bromo-3-(2,2,2-trifluoroethyl)-3,4-dihydropyrimidin-4-one
CID 66307880
5-Bromo-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 66308916
5-Bromo-3-(2-fluoroethyl)pyrimidin-4-one
CID 80694151
5-Bromo-3-(3-fluoropropyl)pyrimidin-4-one
CID 81113542
6-Chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582310
5,6-Dichloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583172
5-Bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114583338
5-Bromo-6-chloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114583350
5-Bromo-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114583441
5-Bromo-6-chloro-3-(difluoromethyl)pyrimidin-4-one
CID 114583482
5-Bromo-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114583505

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one (CID 114583599) is 5-bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one is O=c1c(Br)c(Cl)ncn1CCF.
What is the InChIKey of 5-bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one?
The InChIKey is BYYYFKYKFQMLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClFN2O/c7-4-5(8)10-3-11(2-1-9)6(4)12/h3H,1-2H2.
What are the key properties of 5-bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one?
5-bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one has a molecular weight of 255.47 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one is sourced from PubChem (CID 114583599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).