1-methyl-2-methylsulfanylpyrimidin-4-imine

C6H9N3S — CID 91989400

IUPAC1-methyl-2-methylsulfanylpyrimidin-4-imine
SMILES[H]/N=c1\ccn(C)c(SC)n1
InChIInChI=1S/C6H9N3S/c1-9-4-3-5(7)8-6(9)10-2/h3-4,7H,1-2H3/b7-5+
InChIKeyXVQMMTIYSAHYAQ-FNORWQNLSA-N
MW155.23 g/mol
LogP0.62
Rot. Bonds1

About 1-methyl-2-methylsulfanylpyrimidin-4-imine

1-methyl-2-methylsulfanylpyrimidin-4-imine (PubChem CID 91989400) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanylpyrimidin-4-imine.

Molecular Properties

Compound Name1-methyl-2-methylsulfanylpyrimidin-4-imine
PubChem CID91989400
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name1-methyl-2-methylsulfanylpyrimidin-4-imine
SMILES[H]/N=c1\ccn(C)c(SC)n1
InChIInChI=1S/C6H9N3S/c1-9-4-3-5(7)8-6(9)10-2/h3-4,7H,1-2H3/b7-5+
InChIKeyXVQMMTIYSAHYAQ-FNORWQNLSA-N
XLogP0.62
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanylpyrimidin-4-imine?
The IUPAC name of 1-methyl-2-methylsulfanylpyrimidin-4-imine (CID 91989400) is 1-methyl-2-methylsulfanylpyrimidin-4-imine.
What is the SMILES notation for 1-methyl-2-methylsulfanylpyrimidin-4-imine?
The canonical SMILES for 1-methyl-2-methylsulfanylpyrimidin-4-imine is [H]/N=c1\ccn(C)c(SC)n1.
What is the InChIKey of 1-methyl-2-methylsulfanylpyrimidin-4-imine?
The InChIKey is XVQMMTIYSAHYAQ-FNORWQNLSA-N. The full InChI is InChI=1S/C6H9N3S/c1-9-4-3-5(7)8-6(9)10-2/h3-4,7H,1-2H3/b7-5+.
What are the key properties of 1-methyl-2-methylsulfanylpyrimidin-4-imine?
1-methyl-2-methylsulfanylpyrimidin-4-imine has a molecular weight of 155.23 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfanylpyrimidin-4-imine is sourced from PubChem (CID 91989400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).