5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

C13H13N5S2 — CID 63381400

IUPAC5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CSc3cnccn3)nc(N)c2c1C
InChIInChI=1S/C13H13N5S2/c1-7-8(2)20-13-11(7)12(14)17-9(18-13)6-19-10-5-15-3-4-16-10/h3-5H,6H2,1-2H3,(H2,14,17,18)
InChIKeyYIDJYPUSYCSQRG-UHFFFAOYSA-N
MW303.42 g/mol
LogP2.97
Rot. Bonds3

About 5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63381400) has the molecular formula C13H13N5S2 and a molecular weight of 303.42 g/mol. Its IUPAC name is 5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID63381400
Molecular FormulaC13H13N5S2
Molecular Weight303.42 g/mol
Exact Mass303.06
IUPAC Name5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CSc3cnccn3)nc(N)c2c1C
InChIInChI=1S/C13H13N5S2/c1-7-8(2)20-13-11(7)12(14)17-9(18-13)6-19-10-5-15-3-4-16-10/h3-5H,6H2,1-2H3,(H2,14,17,18)
InChIKeyYIDJYPUSYCSQRG-UHFFFAOYSA-N
XLogP2.97
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 63381400) is 5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CSc3cnccn3)nc(N)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YIDJYPUSYCSQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S2/c1-7-8(2)20-13-11(7)12(14)17-9(18-13)6-19-10-5-15-3-4-16-10/h3-5H,6H2,1-2H3,(H2,14,17,18).
What are the key properties of 5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63381400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).