5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one

C9H7FN2O2 — CID 136673206

IUPAC5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccco2)c(F)c(=O)[nH]1
InChIInChI=1S/C9H7FN2O2/c1-5-11-8(6-3-2-4-14-6)7(10)9(13)12-5/h2-4H,1H3,(H,11,12,13)
InChIKeyHOCWBMZJVRMCAH-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.48
Rot. Bonds1

About 5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one

5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136673206) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136673206
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccco2)c(F)c(=O)[nH]1
InChIInChI=1S/C9H7FN2O2/c1-5-11-8(6-3-2-4-14-6)7(10)9(13)12-5/h2-4H,1H3,(H,11,12,13)
InChIKeyHOCWBMZJVRMCAH-UHFFFAOYSA-N
XLogP1.48
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one (CID 136673206) is 5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(-c2ccco2)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is HOCWBMZJVRMCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-5-11-8(6-3-2-4-14-6)7(10)9(13)12-5/h2-4H,1H3,(H,11,12,13).
What are the key properties of 5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one?
5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 194.16 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(furan-2-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136673206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).