5-bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one

C7H5BrClF3N2O — CID 114583338

IUPAC5-bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CCC(F)(F)F
InChIInChI=1S/C7H5BrClF3N2O/c8-4-5(9)13-3-14(6(4)15)2-1-7(10,11)12/h3H,1-2H2
InChIKeyUUDMYRMQTBLGHK-UHFFFAOYSA-N
MW305.48 g/mol
LogP2.61
Rot. Bonds2

About 5-bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one

5-bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one (PubChem CID 114583338) has the molecular formula C7H5BrClF3N2O and a molecular weight of 305.48 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
PubChem CID114583338
Molecular FormulaC7H5BrClF3N2O
Molecular Weight305.48 g/mol
Exact Mass303.92
IUPAC Name5-bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CCC(F)(F)F
InChIInChI=1S/C7H5BrClF3N2O/c8-4-5(9)13-3-14(6(4)15)2-1-7(10,11)12/h3H,1-2H2
InChIKeyUUDMYRMQTBLGHK-UHFFFAOYSA-N
XLogP2.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 66310852
6-Chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582043
5,6-Dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912
5-Bromo-6-chloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114583350
5-Bromo-6-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 114583364
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
5-Bromo-6-chloro-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 114583532
5-Bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583599

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one (CID 114583338) is 5-bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one is O=c1c(Br)c(Cl)ncn1CCC(F)(F)F.
What is the InChIKey of 5-bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one?
The InChIKey is UUDMYRMQTBLGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF3N2O/c8-4-5(9)13-3-14(6(4)15)2-1-7(10,11)12/h3H,1-2H2.
What are the key properties of 5-bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one?
5-bromo-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one has a molecular weight of 305.48 g/mol, XLogP of 2.61, 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-(3,3,3-trifluoropropyl)pyrimidin-4-one is sourced from PubChem (CID 114583338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).