2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate

C13H15N2O2S2- — CID 7130423

IUPAC2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
SMILESCc1sc2nc(C(C)C)nc(SCC(=O)[O-])c2c1C
InChIInChI=1S/C13H16N2O2S2/c1-6(2)11-14-12(18-5-9(16)17)10-7(3)8(4)19-13(10)15-11/h6H,5H2,1-4H3,(H,16,17)/p-1
InChIKeyFSHYAYPQEPJFJV-UHFFFAOYSA-M
MW295.41 g/mol
LogP2.27
Rot. Bonds4

About 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate

2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate (PubChem CID 7130423) has the molecular formula C13H15N2O2S2- and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
PubChem CID7130423
Molecular FormulaC13H15N2O2S2-
Molecular Weight295.41 g/mol
Exact Mass295.06
IUPAC Name2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
SMILESCc1sc2nc(C(C)C)nc(SCC(=O)[O-])c2c1C
InChIInChI=1S/C13H16N2O2S2/c1-6(2)11-14-12(18-5-9(16)17)10-7(3)8(4)19-13(10)15-11/h6H,5H2,1-4H3,(H,16,17)/p-1
InChIKeyFSHYAYPQEPJFJV-UHFFFAOYSA-M
XLogP2.27
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 3218952
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 1440744
2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 1440762
N-cyclohexyl-2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1440736
2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 655538
2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1440726
methyl 2-[[2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate
CID 1440729
2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
CID 6955930
propan-2-yl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 858933
N-[(2S)-3-methylbutan-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680321
propan-2-yl 2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 3545327
N'-acetyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetohydrazide
CID 7680254

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The IUPAC name of 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate (CID 7130423) is 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate is Cc1sc2nc(C(C)C)nc(SCC(=O)[O-])c2c1C.
What is the InChIKey of 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The InChIKey is FSHYAYPQEPJFJV-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16N2O2S2/c1-6(2)11-14-12(18-5-9(16)17)10-7(3)8(4)19-13(10)15-11/h6H,5H2,1-4H3,(H,16,17)/p-1.
What are the key properties of 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate has a molecular weight of 295.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 7130423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).