2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one

C12H12N2OS — CID 135406353

IUPAC2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one
SMILESCCSc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C12H12N2OS/c1-2-16-12-13-10(8-11(15)14-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyJUSHOYXQHVQBDG-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.55
Rot. Bonds3

About 2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one

2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135406353) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one
PubChem CID135406353
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one
SMILESCCSc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C12H12N2OS/c1-2-16-12-13-10(8-11(15)14-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyJUSHOYXQHVQBDG-UHFFFAOYSA-N
XLogP2.55
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-p-Tolylamino-thiazol-4-one
CID 135411781
2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
2-(Benzylsulfanyl)pyrimidin-4-ol
CID 241186
2-(Benzylthio)pyrimidine-4,6-diol
CID 774009
2-m-Tolylamino-thiazol-4-one
CID 135415496
2-(Cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 135401050
2-(Butan-2-ylsulfanyl)-6-[(2,6-difluorophenyl)methyl]-3,4-dihydropyrimidin-4-one
CID 135402750
2-(Cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)methyl]-3,4-dihydropyrimidin-4-one
CID 135402751
2-(Cyclohexylsulfanyl)-6-[(2,6-difluorophenyl)methyl]-3,4-dihydropyrimidin-4-one
CID 135402780
6-Benzyl-2-(cyclohexylsulfanyl)-3,4-dihydropyrimidin-4-one
CID 135402808
2-[(4-Methylbenzyl)sulfanyl]-3,5,6,7-Tetrahydro-4h-Cyclopenta[d]pyrimidin-4-One
CID 135412231
4-hydroxy-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-6-one
CID 127045635

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one (CID 135406353) is 2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one is CCSc1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is JUSHOYXQHVQBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-2-16-12-13-10(8-11(15)14-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14,15).
What are the key properties of 2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one?
2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 232.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135406353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).