3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one

C7H10N2OS — CID 10012332

IUPAC3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1cc(N)c(=O)[nH]c1C
InChIInChI=1S/C7H10N2OS/c1-4-6(11-2)3-5(8)7(10)9-4/h3H,8H2,1-2H3,(H,9,10)
InChIKeyMCPFXLQJTFYDCT-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.99
Rot. Bonds1

About 3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one

3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one (PubChem CID 10012332) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one
PubChem CID10012332
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1cc(N)c(=O)[nH]c1C
InChIInChI=1S/C7H10N2OS/c1-4-6(11-2)3-5(8)7(10)9-4/h3H,8H2,1-2H3,(H,9,10)
InChIKeyMCPFXLQJTFYDCT-UHFFFAOYSA-N
XLogP0.99
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one (CID 10012332) is 3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one is CSc1cc(N)c(=O)[nH]c1C.
What is the InChIKey of 3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one?
The InChIKey is MCPFXLQJTFYDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-4-6(11-2)3-5(8)7(10)9-4/h3H,8H2,1-2H3,(H,9,10).
What are the key properties of 3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one?
3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one has a molecular weight of 170.24 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-5-methylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 10012332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).