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

C11H10N2OS — CID 135408535

IUPAC2-methylsulfanyl-4-phenyl-1H-pyrimidin-6-one
SMILESCSc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C11H10N2OS/c1-15-11-12-9(7-10(14)13-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13,14)
InChIKeyJSYZOQNANLSNMY-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.16
Rot. Bonds2

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

2-methylsulfanyl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135408535) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-methylsulfanyl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methylsulfanyl-4-phenyl-1H-pyrimidin-6-one
PubChem CID135408535
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name2-methylsulfanyl-4-phenyl-1H-pyrimidin-6-one
SMILESCSc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C11H10N2OS/c1-15-11-12-9(7-10(14)13-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13,14)
InChIKeyJSYZOQNANLSNMY-UHFFFAOYSA-N
XLogP2.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
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-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
5-isopropyl-2-((methylthiomethyl)thio)-6-(benzyl)pyrimidin-4(1H)-one
CID 135484529
6-Benzyl-2-(benzylthio)-5-methylpyrimidin-4(3H)-one
CID 135924204
2-(Allylthio)-6-benzyl-5-methylpyrimidin-4(3H)-one
CID 135924221
6-Benzyl-5-methyl-2-(3-phenylpropylthio)pyrimidin-4(3H)-one
CID 135924224
6-Benzyl-5-methyl-2-(benzylthio)pyrimidin-4(3H)-one
CID 136086741

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-methylsulfanyl-4-phenyl-1H-pyrimidin-6-one (CID 135408535) is 2-methylsulfanyl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methylsulfanyl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-methylsulfanyl-4-phenyl-1H-pyrimidin-6-one is CSc1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-methylsulfanyl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is JSYZOQNANLSNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-15-11-12-9(7-10(14)13-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13,14).
What are the key properties of 2-methylsulfanyl-4-phenyl-1H-pyrimidin-6-one?
2-methylsulfanyl-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 218.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135408535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).