5-bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one

C7H7BrClFN2O — CID 114583676

IUPAC5-bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CCCF
InChIInChI=1S/C7H7BrClFN2O/c8-5-6(9)11-4-12(7(5)13)3-1-2-10/h4H,1-3H2
InChIKeyNABJDGKZWKIBRG-UHFFFAOYSA-N
MW269.50 g/mol
LogP2.02
Rot. Bonds3

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

5-bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one (PubChem CID 114583676) has the molecular formula C7H7BrClFN2O and a molecular weight of 269.50 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
PubChem CID114583676
Molecular FormulaC7H7BrClFN2O
Molecular Weight269.50 g/mol
Exact Mass267.94
IUPAC Name5-bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CCCF
InChIInChI=1S/C7H7BrClFN2O/c8-5-6(9)11-4-12(7(5)13)3-1-2-10/h4H,1-3H2
InChIKeyNABJDGKZWKIBRG-UHFFFAOYSA-N
XLogP2.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 66310852
5-Bromo-3-(2-fluoroethyl)pyrimidin-4-one
CID 80694151
5-Bromo-3-(3-fluoropropyl)pyrimidin-4-one
CID 81113542
5,6-Dichloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114583250
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
5-Bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583599
6-Chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one
CID 114584106
5-Bromo-6-chloro-3-ethylpyrimidin-4-one
CID 15924965

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one (CID 114583676) is 5-bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one is O=c1c(Br)c(Cl)ncn1CCCF.
What is the InChIKey of 5-bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one?
The InChIKey is NABJDGKZWKIBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClFN2O/c8-5-6(9)11-4-12(7(5)13)3-1-2-10/h4H,1-3H2.
What are the key properties of 5-bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one?
5-bromo-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one has a molecular weight of 269.50 g/mol, XLogP of 2.02, 3 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-fluoropropyl)pyrimidin-4-one is sourced from PubChem (CID 114583676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).