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

C15H11FN2O2S — CID 79431651

IUPAC5-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccsc1-c1nc(O)c(-c2cccc(F)c2)c(=O)[nH]1
InChIInChI=1S/C15H11FN2O2S/c1-8-5-6-21-12(8)13-17-14(19)11(15(20)18-13)9-3-2-4-10(16)7-9/h2-7H,1H3,(H2,17,18,19,20)
InChIKeyILSHSESOLRBGNU-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.32
Rot. Bonds2

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

5-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one (PubChem CID 79431651) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
PubChem CID79431651
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name5-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccsc1-c1nc(O)c(-c2cccc(F)c2)c(=O)[nH]1
InChIInChI=1S/C15H11FN2O2S/c1-8-5-6-21-12(8)13-17-14(19)11(15(20)18-13)9-3-2-4-10(16)7-9/h2-7H,1H3,(H2,17,18,19,20)
InChIKeyILSHSESOLRBGNU-UHFFFAOYSA-N
XLogP3.32
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one (CID 79431651) is 5-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one is Cc1ccsc1-c1nc(O)c(-c2cccc(F)c2)c(=O)[nH]1.
What is the InChIKey of 5-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The InChIKey is ILSHSESOLRBGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c1-8-5-6-21-12(8)13-17-14(19)11(15(20)18-13)9-3-2-4-10(16)7-9/h2-7H,1H3,(H2,17,18,19,20).
What are the key properties of 5-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
5-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one has a molecular weight of 302.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79431651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).