2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol

C10H12N2OS2 — CID 43384938

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
SMILESCc1sc2ncnc(SCCO)c2c1C
InChIInChI=1S/C10H12N2OS2/c1-6-7(2)15-10-8(6)9(11-5-12-10)14-4-3-13/h5,13H,3-4H2,1-2H3
InChIKeyCLPOGZDHIZSFPY-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.39
Rot. Bonds3

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol (PubChem CID 43384938) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
PubChem CID43384938
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
SMILESCc1sc2ncnc(SCCO)c2c1C
InChIInChI=1S/C10H12N2OS2/c1-6-7(2)15-10-8(6)9(11-5-12-10)14-4-3-13/h5,13H,3-4H2,1-2H3
InChIKeyCLPOGZDHIZSFPY-UHFFFAOYSA-N
XLogP2.39
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol (CID 43384938) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol is Cc1sc2ncnc(SCCO)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
The InChIKey is CLPOGZDHIZSFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-6-7(2)15-10-8(6)9(11-5-12-10)14-4-3-13/h5,13H,3-4H2,1-2H3.
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol has a molecular weight of 240.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 43384938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).