2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine

C7H11N3O2S — CID 71325086

IUPAC2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine
SMILESCOc1nc(N)c(SC)c(OC)n1
InChIInChI=1S/C7H11N3O2S/c1-11-6-4(13-3)5(8)9-7(10-6)12-2/h1-3H3,(H2,8,9,10)
InChIKeyRBMDIALURBOXGV-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.80
Rot. Bonds3

About 2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine

2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine (PubChem CID 71325086) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine
PubChem CID71325086
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine
SMILESCOc1nc(N)c(SC)c(OC)n1
InChIInChI=1S/C7H11N3O2S/c1-11-6-4(13-3)5(8)9-7(10-6)12-2/h1-3H3,(H2,8,9,10)
InChIKeyRBMDIALURBOXGV-UHFFFAOYSA-N
XLogP0.80
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine (CID 71325086) is 2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine is COc1nc(N)c(SC)c(OC)n1.
What is the InChIKey of 2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine?
The InChIKey is RBMDIALURBOXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-11-6-4(13-3)5(8)9-7(10-6)12-2/h1-3H3,(H2,8,9,10).
What are the key properties of 2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine?
2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine has a molecular weight of 201.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 71325086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).