3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one

C8H10FIN2O — CID 81113788

IUPAC3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCCF
InChIInChI=1S/C8H10FIN2O/c1-6-11-5-7(10)8(13)12(6)4-2-3-9/h5H,2-4H2,1H3
InChIKeyCFARNQIKNJIEGT-UHFFFAOYSA-N
MW296.08 g/mol
LogP1.52
Rot. Bonds3

About 3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one

3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one (PubChem CID 81113788) has the molecular formula C8H10FIN2O and a molecular weight of 296.08 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one
PubChem CID81113788
Molecular FormulaC8H10FIN2O
Molecular Weight296.08 g/mol
Exact Mass295.98
IUPAC Name3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCCF
InChIInChI=1S/C8H10FIN2O/c1-6-11-5-7(10)8(13)12(6)4-2-3-9/h5H,2-4H2,1H3
InChIKeyCFARNQIKNJIEGT-UHFFFAOYSA-N
XLogP1.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one?
The IUPAC name of 3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one (CID 81113788) is 3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one?
The canonical SMILES for 3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one is Cc1ncc(I)c(=O)n1CCCF.
What is the InChIKey of 3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one?
The InChIKey is CFARNQIKNJIEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FIN2O/c1-6-11-5-7(10)8(13)12(6)4-2-3-9/h5H,2-4H2,1H3.
What are the key properties of 3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one?
3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one has a molecular weight of 296.08 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-5-iodo-2-methylpyrimidin-4-one is sourced from PubChem (CID 81113788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).