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

C15H11FN2O3 — CID 79435436

IUPAC5-(2-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(O)c(-c3ccccc3F)c(=O)[nH]2)o1
InChIInChI=1S/C15H11FN2O3/c1-8-6-7-11(21-8)13-17-14(19)12(15(20)18-13)9-4-2-3-5-10(9)16/h2-7H,1H3,(H2,17,18,19,20)
InChIKeyHLKYEEGWIBHWDH-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.85
Rot. Bonds2

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

5-(2-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one (PubChem CID 79435436) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one
PubChem CID79435436
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name5-(2-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(O)c(-c3ccccc3F)c(=O)[nH]2)o1
InChIInChI=1S/C15H11FN2O3/c1-8-6-7-11(21-8)13-17-14(19)12(15(20)18-13)9-4-2-3-5-10(9)16/h2-7H,1H3,(H2,17,18,19,20)
InChIKeyHLKYEEGWIBHWDH-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-(2-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one (CID 79435436) is 5-(2-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one is Cc1ccc(-c2nc(O)c(-c3ccccc3F)c(=O)[nH]2)o1.
What is the InChIKey of 5-(2-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one?
The InChIKey is HLKYEEGWIBHWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-8-6-7-11(21-8)13-17-14(19)12(15(20)18-13)9-4-2-3-5-10(9)16/h2-7H,1H3,(H2,17,18,19,20).
What are the key properties of 5-(2-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one?
5-(2-fluorophenyl)-4-hydroxy-2-(5-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-(2-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79435436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).