5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine

C9H10N2S2 — CID 865968

IUPAC5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine
SMILESCSc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C9H10N2S2/c1-5-6(2)13-9-7(5)8(12-3)10-4-11-9/h4H,1-3H3
InChIKeyWIKTVEZUGIKJOG-UHFFFAOYSA-N
MW210.33 g/mol
LogP3.03
Rot. Bonds1

About 5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine

5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine (PubChem CID 865968) has the molecular formula C9H10N2S2 and a molecular weight of 210.33 g/mol. Its IUPAC name is 5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine
PubChem CID865968
Molecular FormulaC9H10N2S2
Molecular Weight210.33 g/mol
Exact Mass210.03
IUPAC Name5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine
SMILESCSc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C9H10N2S2/c1-5-6(2)13-9-7(5)8(12-3)10-4-11-9/h4H,1-3H3
InChIKeyWIKTVEZUGIKJOG-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine (CID 865968) is 5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine is CSc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine?
The InChIKey is WIKTVEZUGIKJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S2/c1-5-6(2)13-9-7(5)8(12-3)10-4-11-9/h4H,1-3H3.
What are the key properties of 5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine?
5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine has a molecular weight of 210.33 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-methylsulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 865968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).