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

C7H8ClFN2O — CID 114582396

IUPAC6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCCF
InChIInChI=1S/C7H8ClFN2O/c8-6-4-7(12)11(5-10-6)3-1-2-9/h4-5H,1-3H2
InChIKeyKLOQFNZLNBFKKO-UHFFFAOYSA-N
MW190.61 g/mol
LogP1.26
Rot. Bonds3

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

6-chloro-3-(3-fluoropropyl)pyrimidin-4-one (PubChem CID 114582396) has the molecular formula C7H8ClFN2O and a molecular weight of 190.61 g/mol. Its IUPAC name is 6-chloro-3-(3-fluoropropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
PubChem CID114582396
Molecular FormulaC7H8ClFN2O
Molecular Weight190.61 g/mol
Exact Mass190.03
IUPAC Name6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCCF
InChIInChI=1S/C7H8ClFN2O/c8-6-4-7(12)11(5-10-6)3-1-2-9/h4-5H,1-3H2
InChIKeyKLOQFNZLNBFKKO-UHFFFAOYSA-N
XLogP1.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.61
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-6-fluoropyrimidin-4-one
CID 76852624
6-Chloro-2-methyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114581616
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-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 114582069
6-Chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114582148
6-Chloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114582209
6-Chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582310
5,6-Dichloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583172
5,6-Dichloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114583250

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-fluoropropyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-fluoropropyl)pyrimidin-4-one (CID 114582396) is 6-chloro-3-(3-fluoropropyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-fluoropropyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-fluoropropyl)pyrimidin-4-one is O=c1cc(Cl)ncn1CCCF.
What is the InChIKey of 6-chloro-3-(3-fluoropropyl)pyrimidin-4-one?
The InChIKey is KLOQFNZLNBFKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O/c8-6-4-7(12)11(5-10-6)3-1-2-9/h4-5H,1-3H2.
What are the key properties of 6-chloro-3-(3-fluoropropyl)pyrimidin-4-one?
6-chloro-3-(3-fluoropropyl)pyrimidin-4-one has a molecular weight of 190.61 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-fluoropropyl)pyrimidin-4-one is sourced from PubChem (CID 114582396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).