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

C11H12N2O2S2 — CID 725203

IUPACmethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C11H12N2O2S2/c1-6-7(2)17-11-9(6)10(12-5-13-11)16-4-8(14)15-3/h5H,4H2,1-3H3
InChIKeyCLEWZMBGKWSZLI-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.57
Rot. Bonds3

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

methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate (PubChem CID 725203) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
PubChem CID725203
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Namemethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C11H12N2O2S2/c1-6-7(2)17-11-9(6)10(12-5-13-11)16-4-8(14)15-3/h5H,4H2,1-3H3
InChIKeyCLEWZMBGKWSZLI-UHFFFAOYSA-N
XLogP2.57
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-Dimethylthieno(2,3-d)pyrimidin-4-amine
CID 290232
Ttp 22
CID 1536915
2-[(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-1-(4-morpholinyl)ethanone
CID 705250
Methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 856427
5,6-Dimethyl-4-(methylsulfanyl)thieno[2,3-D]pyrimidine
CID 865968
2-({5-Phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetic acid
CID 724891
2-((6-Phenylthieno(2,3-d)pyrimidin-4-yl)sulfanyl)acetic acid
CID 725214
4-Chloro-5,6-dimethylthieno(2,3-d)pyrimidine
CID 290212
2-[5-Methyl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
CID 156016543
2-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone
CID 711239
3-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)pentane-2,4-dione
CID 722190
2-((5-(4-Methylphenyl)thieno(2,3-d)pyrimidin-4-yl)thio)acetic acid
CID 744736

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The IUPAC name of methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate (CID 725203) is methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate is COC(=O)CSc1ncnc2sc(C)c(C)c12.
What is the InChIKey of methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The InChIKey is CLEWZMBGKWSZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-6-7(2)17-11-9(6)10(12-5-13-11)16-4-8(14)15-3/h5H,4H2,1-3H3.
What are the key properties of methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate has a molecular weight of 268.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 725203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).