5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one

C15H11FN2O3 — CID 104798452

IUPAC5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccoc1-c1nc(O)c(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C15H11FN2O3/c1-8-6-7-21-12(8)13-17-14(19)11(15(20)18-13)9-2-4-10(16)5-3-9/h2-7H,1H3,(H2,17,18,19,20)
InChIKeyASQLFBHVOJTGLM-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.85
Rot. Bonds2

About 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one

5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one (PubChem CID 104798452) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one
PubChem CID104798452
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccoc1-c1nc(O)c(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C15H11FN2O3/c1-8-6-7-21-12(8)13-17-14(19)11(15(20)18-13)9-2-4-10(16)5-3-9/h2-7H,1H3,(H2,17,18,19,20)
InChIKeyASQLFBHVOJTGLM-UHFFFAOYSA-N
XLogP2.85
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one (CID 104798452) is 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one is Cc1ccoc1-c1nc(O)c(-c2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one?
The InChIKey is ASQLFBHVOJTGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-8-6-7-21-12(8)13-17-14(19)11(15(20)18-13)9-2-4-10(16)5-3-9/h2-7H,1H3,(H2,17,18,19,20).
What are the key properties of 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one?
5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one has a molecular weight of 286.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-hydroxy-2-(3-methylfuran-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 104798452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).