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

C7H9FN2O — CID 115733453

IUPAC3-(3-fluoropropyl)pyrimidin-4-one
SMILESO=c1ccncn1CCCF
InChIInChI=1S/C7H9FN2O/c8-3-1-5-10-6-9-4-2-7(10)11/h2,4,6H,1,3,5H2
InChIKeySBFLHLTYAMWZBX-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.60
Rot. Bonds3

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

3-(3-fluoropropyl)pyrimidin-4-one (PubChem CID 115733453) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 3-(3-fluoropropyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-fluoropropyl)pyrimidin-4-one
PubChem CID115733453
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name3-(3-fluoropropyl)pyrimidin-4-one
SMILESO=c1ccncn1CCCF
InChIInChI=1S/C7H9FN2O/c8-3-1-5-10-6-9-4-2-7(10)11/h2,4,6H,1,3,5H2
InChIKeySBFLHLTYAMWZBX-UHFFFAOYSA-N
XLogP0.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylpyrimidin-4(3H)-one
CID 301417
2,3-Dimethyl-4(3H)-pyrimidinone
CID 544933
1-Ethylpyrimidin-4-one
CID 426506
2-(6-Oxo-1,6-dihydropyrimidin-1-yl)acetonitrile
CID 45087635
3-(1,1,2,2,2-Pentafluoroethyl)pyrimidin-4-one
CID 21570736
3-(Trifluoromethyl)pyrimidin-4-one
CID 21621534
3-Ethenyl-2-(fluoromethyl)pyrimidin-4-one
CID 159542129
3-Ethenyl-2-(trifluoromethyl)pyrimidin-4-one
CID 159918283
5-Fluoro-3-propan-2-ylpyrimidin-4-one
CID 172299004
3-(1,1-Difluoroethyl)pyrimidin-4-one
CID 174957255
3-Ethyl-2-methylpyrimidin-4-one
CID 295916
3-Ethylpyrimidin-4-one
CID 303829

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)pyrimidin-4-one?
The IUPAC name of 3-(3-fluoropropyl)pyrimidin-4-one (CID 115733453) is 3-(3-fluoropropyl)pyrimidin-4-one.
What is the SMILES notation for 3-(3-fluoropropyl)pyrimidin-4-one?
The canonical SMILES for 3-(3-fluoropropyl)pyrimidin-4-one is O=c1ccncn1CCCF.
What is the InChIKey of 3-(3-fluoropropyl)pyrimidin-4-one?
The InChIKey is SBFLHLTYAMWZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c8-3-1-5-10-6-9-4-2-7(10)11/h2,4,6H,1,3,5H2.
What are the key properties of 3-(3-fluoropropyl)pyrimidin-4-one?
3-(3-fluoropropyl)pyrimidin-4-one has a molecular weight of 156.16 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)pyrimidin-4-one is sourced from PubChem (CID 115733453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).