4-amino-6-methylsulfanyl-1H-pyridin-2-one

C6H8N2OS — CID 54322389

IUPAC4-amino-6-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1cc(N)cc(=O)[nH]1
InChIInChI=1S/C6H8N2OS/c1-10-6-3-4(7)2-5(9)8-6/h2-3H,1H3,(H3,7,8,9)
InChIKeySSNPFRMBDQOCNK-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.68
Rot. Bonds1

About 4-amino-6-methylsulfanyl-1H-pyridin-2-one

4-amino-6-methylsulfanyl-1H-pyridin-2-one (PubChem CID 54322389) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 4-amino-6-methylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-6-methylsulfanyl-1H-pyridin-2-one
PubChem CID54322389
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name4-amino-6-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1cc(N)cc(=O)[nH]1
InChIInChI=1S/C6H8N2OS/c1-10-6-3-4(7)2-5(9)8-6/h2-3H,1H3,(H3,7,8,9)
InChIKeySSNPFRMBDQOCNK-UHFFFAOYSA-N
XLogP0.68
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-6-hydroxy-2-mercaptopyridine
CID 18751511
6-methyl-4-methylsulfanyl-1H-pyridin-2-one
CID 13925251
4-amino-6-sulfanyl-1H-pyridin-2-one;hydrate
CID 18751510
4-amino-6-methyl-5-sulfanyl-1H-pyridin-2-one
CID 20379934
2(1H)-Pyridinone, 6-(methylthio)-
CID 45079969
6-methyl-3-methylsulfanyl-1H-pyridin-2-one
CID 166973798
3-amino-6-methyl-4-methylsulfanyl-1H-pyridin-2-one
CID 176395926
4-Amino-6-prop-2-enylthiohydropyridin-2-one
CID 4682378
5-isocyano-4-methyl-6-methylsulfanyl-1H-pyridin-2-one
CID 160734702

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 4-amino-6-methylsulfanyl-1H-pyridin-2-one (CID 54322389) is 4-amino-6-methylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-6-methylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 4-amino-6-methylsulfanyl-1H-pyridin-2-one is CSc1cc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-6-methylsulfanyl-1H-pyridin-2-one?
The InChIKey is SSNPFRMBDQOCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-10-6-3-4(7)2-5(9)8-6/h2-3H,1H3,(H3,7,8,9).
What are the key properties of 4-amino-6-methylsulfanyl-1H-pyridin-2-one?
4-amino-6-methylsulfanyl-1H-pyridin-2-one has a molecular weight of 156.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 54322389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).