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

C14H14N2O4S2 — CID 7212320

IUPAC[(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
SMILESCc1sc2ncnc(SCC(=O)O[C@@H]3CCOC3=O)c2c1C
InChIInChI=1S/C14H14N2O4S2/c1-7-8(2)22-13-11(7)12(15-6-16-13)21-5-10(17)20-9-3-4-19-14(9)18/h6,9H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyGKKUFFVRSHVANN-SECBINFHSA-N
MW338.41 g/mol
LogP2.26
Rot. Bonds4

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

[(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate (PubChem CID 7212320) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
PubChem CID7212320
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC Name[(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
SMILESCc1sc2ncnc(SCC(=O)O[C@@H]3CCOC3=O)c2c1C
InChIInChI=1S/C14H14N2O4S2/c1-7-8(2)22-13-11(7)12(15-6-16-13)21-5-10(17)20-9-3-4-19-14(9)18/h6,9H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyGKKUFFVRSHVANN-SECBINFHSA-N
XLogP2.26
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate with MolForge

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Related Compounds

[(3S)-2-oxooxolan-3-yl] 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 7561294
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 7212411
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide
CID 78762835
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 17431173
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 7212273
N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
CID 865963
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 7212253
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 798359
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-piperidin-4-ylacetamide
CID 119389402
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
CID 166191465
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119389401
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 3137198

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate (CID 7212320) is [(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate is Cc1sc2ncnc(SCC(=O)O[C@@H]3CCOC3=O)c2c1C.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The InChIKey is GKKUFFVRSHVANN-SECBINFHSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-7-8(2)22-13-11(7)12(15-6-16-13)21-5-10(17)20-9-3-4-19-14(9)18/h6,9H,3-5H2,1-2H3/t9-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
[(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate has a molecular weight of 338.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 7212320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).