2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine

C12H15N5S2 — CID 80890698

IUPAC2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C12H15N5S2/c1-6-7(2)14-12(15-8(6)3)19-10-5-9(13)16-11(17-10)18-4/h5H,1-4H3,(H2,13,16,17)
InChIKeyIVALOGXSMCAAOM-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.65
Rot. Bonds3

About 2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine

2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine (PubChem CID 80890698) has the molecular formula C12H15N5S2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
PubChem CID80890698
Molecular FormulaC12H15N5S2
Molecular Weight293.42 g/mol
Exact Mass293.08
IUPAC Name2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C12H15N5S2/c1-6-7(2)14-12(15-8(6)3)19-10-5-9(13)16-11(17-10)18-4/h5H,1-4H3,(H2,13,16,17)
InChIKeyIVALOGXSMCAAOM-UHFFFAOYSA-N
XLogP2.65
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine (CID 80890698) is 2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine is CSc1nc(N)cc(Sc2nc(C)c(C)c(C)n2)n1.
What is the InChIKey of 2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The InChIKey is IVALOGXSMCAAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S2/c1-6-7(2)14-12(15-8(6)3)19-10-5-9(13)16-11(17-10)18-4/h5H,1-4H3,(H2,13,16,17).
What are the key properties of 2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine has a molecular weight of 293.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80890698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).