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

C14H8BrFN2O2S — CID 115380790

IUPAC2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2sccc2Br)nc(O)c1-c1ccc(F)cc1
InChIInChI=1S/C14H8BrFN2O2S/c15-9-5-6-21-11(9)12-17-13(19)10(14(20)18-12)7-1-3-8(16)4-2-7/h1-6H,(H2,17,18,19,20)
InChIKeyWGYAQDCVWVJSSG-UHFFFAOYSA-N
MW367.20 g/mol
LogP3.77
Rot. Bonds2

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

2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 115380790) has the molecular formula C14H8BrFN2O2S and a molecular weight of 367.20 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID115380790
Molecular FormulaC14H8BrFN2O2S
Molecular Weight367.20 g/mol
Exact Mass365.95
IUPAC Name2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2sccc2Br)nc(O)c1-c1ccc(F)cc1
InChIInChI=1S/C14H8BrFN2O2S/c15-9-5-6-21-11(9)12-17-13(19)10(14(20)18-12)7-1-3-8(16)4-2-7/h1-6H,(H2,17,18,19,20)
InChIKeyWGYAQDCVWVJSSG-UHFFFAOYSA-N
XLogP3.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 115380790) is 2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2sccc2Br)nc(O)c1-c1ccc(F)cc1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is WGYAQDCVWVJSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O2S/c15-9-5-6-21-11(9)12-17-13(19)10(14(20)18-12)7-1-3-8(16)4-2-7/h1-6H,(H2,17,18,19,20).
What are the key properties of 2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 367.20 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 115380790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).