5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one

C13H16N4OS — CID 62305299

IUPAC5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one
SMILESCc1cc(C)nc(SCCn2cc(N)ccc2=O)n1
InChIInChI=1S/C13H16N4OS/c1-9-7-10(2)16-13(15-9)19-6-5-17-8-11(14)3-4-12(17)18/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyWUMZPEOCNAAZHE-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.63
Rot. Bonds4

About 5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one

5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one (PubChem CID 62305299) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one
PubChem CID62305299
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one
SMILESCc1cc(C)nc(SCCn2cc(N)ccc2=O)n1
InChIInChI=1S/C13H16N4OS/c1-9-7-10(2)16-13(15-9)19-6-5-17-8-11(14)3-4-12(17)18/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyWUMZPEOCNAAZHE-UHFFFAOYSA-N
XLogP1.63
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one (CID 62305299) is 5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one is Cc1cc(C)nc(SCCn2cc(N)ccc2=O)n1.
What is the InChIKey of 5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one?
The InChIKey is WUMZPEOCNAAZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-7-10(2)16-13(15-9)19-6-5-17-8-11(14)3-4-12(17)18/h3-4,7-8H,5-6,14H2,1-2H3.
What are the key properties of 5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one?
5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one has a molecular weight of 276.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one is sourced from PubChem (CID 62305299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).