2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile

C8H9N3OS — CID 658712

IUPAC2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile
SMILESCSc1nc(C)cc(OCC#N)n1
InChIInChI=1S/C8H9N3OS/c1-6-5-7(12-4-3-9)11-8(10-6)13-2/h5H,4H2,1-2H3
InChIKeyCZAUCZWWLMACQR-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.41
Rot. Bonds3

About 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile

2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile (PubChem CID 658712) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile
PubChem CID658712
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile
SMILESCSc1nc(C)cc(OCC#N)n1
InChIInChI=1S/C8H9N3OS/c1-6-5-7(12-4-3-9)11-8(10-6)13-2/h5H,4H2,1-2H3
InChIKeyCZAUCZWWLMACQR-UHFFFAOYSA-N
XLogP1.41
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile?
The IUPAC name of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile (CID 658712) is 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile.
What is the SMILES notation for 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile?
The canonical SMILES for 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile is CSc1nc(C)cc(OCC#N)n1.
What is the InChIKey of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile?
The InChIKey is CZAUCZWWLMACQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-6-5-7(12-4-3-9)11-8(10-6)13-2/h5H,4H2,1-2H3.
What are the key properties of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile?
2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile has a molecular weight of 195.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetonitrile is sourced from PubChem (CID 658712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).