5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one

C7H7Cl2FN2O — CID 114583250

IUPAC5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCCF
InChIInChI=1S/C7H7Cl2FN2O/c8-5-6(9)11-4-12(7(5)13)3-1-2-10/h4H,1-3H2
InChIKeyXUGMHCDNQMYUQU-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.91
Rot. Bonds3

About 5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one

5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one (PubChem CID 114583250) has the molecular formula C7H7Cl2FN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one
PubChem CID114583250
Molecular FormulaC7H7Cl2FN2O
Molecular Weight225.05 g/mol
Exact Mass223.99
IUPAC Name5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCCF
InChIInChI=1S/C7H7Cl2FN2O/c8-5-6(9)11-4-12(7(5)13)3-1-2-10/h4H,1-3H2
InChIKeyXUGMHCDNQMYUQU-UHFFFAOYSA-N
XLogP1.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582043
6-Chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582310
6-Chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114582396
5,6-Dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912
5,6-Dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114582924
5,6-Dichloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114583013
5,6-Dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114583076
5,6-Dichloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583172
5-Bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114583676
6-Chloro-5-iodo-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114583765
6-Chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one
CID 114584025
6-Chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one
CID 114584106

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one (CID 114583250) is 5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CCCF.
What is the InChIKey of 5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one?
The InChIKey is XUGMHCDNQMYUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2FN2O/c8-5-6(9)11-4-12(7(5)13)3-1-2-10/h4H,1-3H2.
What are the key properties of 5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one?
5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one has a molecular weight of 225.05 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(3-fluoropropyl)pyrimidin-4-one is sourced from PubChem (CID 114583250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).