4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one

C12H13N3OS — CID 139462677

IUPAC4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCCc2ccccn2)n1
InChIInChI=1S/C12H13N3OS/c1-9-8-11(16)15-12(14-9)17-7-5-10-4-2-3-6-13-10/h2-4,6,8H,5,7H2,1H3,(H,14,15,16)
InChIKeyMYUOUSIVMCZJPX-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.81
Rot. Bonds4

About 4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one

4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 139462677) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID139462677
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCCc2ccccn2)n1
InChIInChI=1S/C12H13N3OS/c1-9-8-11(16)15-12(14-9)17-7-5-10-4-2-3-6-13-10/h2-4,6,8H,5,7H2,1H3,(H,14,15,16)
InChIKeyMYUOUSIVMCZJPX-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(4-methyl-2-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135559183
4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135772618
4-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-pyrimidin-6-one
CID 135495034
3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
CID 135410546
2-phenoxyethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 135439276
4-methyl-2-[2-(4-propan-2-yloxyphenoxy)ethylsulfanyl]-1H-pyrimidin-6-one
CID 135435935
4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one
CID 135985971
2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 19829479
2-(benzotriazol-1-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one
CID 135590207
2-(2-phenylethylsulfanyl)-4-(propan-2-yloxymethyl)-1H-pyrimidin-6-one
CID 136687174
2-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 135473089
4-(methoxymethyl)-2-(3-phenylpropylsulfanyl)-1H-pyrimidin-6-one
CID 136684378

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one (CID 139462677) is 4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(SCCc2ccccn2)n1.
What is the InChIKey of 4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is MYUOUSIVMCZJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9-8-11(16)15-12(14-9)17-7-5-10-4-2-3-6-13-10/h2-4,6,8H,5,7H2,1H3,(H,14,15,16).
What are the key properties of 4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one?
4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 247.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 139462677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).