6-methoxy-2-methylsulfanylpyrimidin-4-amine

C6H9N3OS — CID 4121981

IUPAC6-methoxy-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1cc(N)nc(SC)n1
InChIInChI=1S/C6H9N3OS/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9)
InChIKeyFBAYMIJHPUCRMU-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.79
Rot. Bonds2

About 6-methoxy-2-methylsulfanylpyrimidin-4-amine

6-methoxy-2-methylsulfanylpyrimidin-4-amine (PubChem CID 4121981) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 6-methoxy-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methylsulfanylpyrimidin-4-amine
PubChem CID4121981
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name6-methoxy-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1cc(N)nc(SC)n1
InChIInChI=1S/C6H9N3OS/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9)
InChIKeyFBAYMIJHPUCRMU-UHFFFAOYSA-N
XLogP0.79
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-methylsulfanylpyrimidin-4-amine (CID 4121981) is 6-methoxy-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-methylsulfanylpyrimidin-4-amine is COc1cc(N)nc(SC)n1.
What is the InChIKey of 6-methoxy-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is FBAYMIJHPUCRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9).
What are the key properties of 6-methoxy-2-methylsulfanylpyrimidin-4-amine?
6-methoxy-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 171.22 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 4121981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).