1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile

C9H11N3OS — CID 4962307

IUPAC1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile
SMILESCSc1c(C)c(C#N)c(=O)n(N)c1C
InChIInChI=1S/C9H11N3OS/c1-5-7(4-10)9(13)12(11)6(2)8(5)14-3/h11H2,1-3H3
InChIKeyPSKROCRMOSJQFG-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.77
Rot. Bonds1

About 1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile

1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile (PubChem CID 4962307) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile
PubChem CID4962307
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile
SMILESCSc1c(C)c(C#N)c(=O)n(N)c1C
InChIInChI=1S/C9H11N3OS/c1-5-7(4-10)9(13)12(11)6(2)8(5)14-3/h11H2,1-3H3
InChIKeyPSKROCRMOSJQFG-UHFFFAOYSA-N
XLogP0.77
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile (CID 4962307) is 1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile is CSc1c(C)c(C#N)c(=O)n(N)c1C.
What is the InChIKey of 1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile?
The InChIKey is PSKROCRMOSJQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-5-7(4-10)9(13)12(11)6(2)8(5)14-3/h11H2,1-3H3.
What are the key properties of 1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile?
1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile has a molecular weight of 209.27 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 4962307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).