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

C15H15FN2O2S — CID 80620344

IUPAC5-(3-fluorophenyl)-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCCS2)nc(O)c1-c1cccc(F)c1
InChIInChI=1S/C15H15FN2O2S/c16-10-5-3-4-9(8-10)12-14(19)17-13(18-15(12)20)11-6-1-2-7-21-11/h3-5,8,11H,1-2,6-7H2,(H2,17,18,19,20)
InChIKeyYXDPHNYOKQSGPT-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.24
Rot. Bonds2

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

5-(3-fluorophenyl)-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one (PubChem CID 80620344) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one
PubChem CID80620344
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name5-(3-fluorophenyl)-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCCS2)nc(O)c1-c1cccc(F)c1
InChIInChI=1S/C15H15FN2O2S/c16-10-5-3-4-9(8-10)12-14(19)17-13(18-15(12)20)11-6-1-2-7-21-11/h3-5,8,11H,1-2,6-7H2,(H2,17,18,19,20)
InChIKeyYXDPHNYOKQSGPT-UHFFFAOYSA-N
XLogP3.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-isobutyl-5-phenyl-1H-pyrimidin-6-one
CID 65428960
N-tert-butyl-2-{[5-(2-fluorobenzyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
CID 1073994
5-(2-fluorophenyl)-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
CID 22325505
2-[(4-fluorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 55217207
2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 90947004
2-(2-(2,3-Difluorophenyl)ethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-one
CID 136145698
2-ethyl-4-fluoro-5-phenyl-1H-pyrimidin-6-one
CID 136459855
2-[(4-Fluorophenyl)methyl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
CID 136460455
4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one
CID 167474416
2-(ethylthio)-5-(2-fluorobenzyl)-6-hydroxy-4(3H)-pyrimidinone
CID 804088
5-cyclohexyl-2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one
CID 846105
2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 4439306

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one (CID 80620344) is 5-(3-fluorophenyl)-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-fluorophenyl)-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-fluorophenyl)-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one is O=c1[nH]c(C2CCCCS2)nc(O)c1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one?
The InChIKey is YXDPHNYOKQSGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-10-5-3-4-9(8-10)12-14(19)17-13(18-15(12)20)11-6-1-2-7-21-11/h3-5,8,11H,1-2,6-7H2,(H2,17,18,19,20).
What are the key properties of 5-(3-fluorophenyl)-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one?
5-(3-fluorophenyl)-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one has a molecular weight of 306.36 g/mol, XLogP of 3.24, 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-(thian-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 80620344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).