1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one

C14H17N3OS2 — CID 78885228

IUPAC1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one
SMILESCc1sc2ncnc(SCCN3CCCC3=O)c2c1C
InChIInChI=1S/C14H17N3OS2/c1-9-10(2)20-14-12(9)13(15-8-16-14)19-7-6-17-5-3-4-11(17)18/h8H,3-7H2,1-2H3
InChIKeyNNDRPIOMILSCOV-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.02
Rot. Bonds4

About 1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one

1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one (PubChem CID 78885228) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one
PubChem CID78885228
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one
SMILESCc1sc2ncnc(SCCN3CCCC3=O)c2c1C
InChIInChI=1S/C14H17N3OS2/c1-9-10(2)20-14-12(9)13(15-8-16-14)19-7-6-17-5-3-4-11(17)18/h8H,3-7H2,1-2H3
InChIKeyNNDRPIOMILSCOV-UHFFFAOYSA-N
XLogP3.02
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 7212253
2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]isoindole-1,3-dione
CID 1190211
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 43384938
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 798359
5,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidine
CID 87037559
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide
CID 78762835
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7826447
3-[3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropyl]-1H-benzimidazol-2-one
CID 42983658
1-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 75454798
[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32971255
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 7212273
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 17431173

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one (CID 78885228) is 1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one is Cc1sc2ncnc(SCCN3CCCC3=O)c2c1C.
What is the InChIKey of 1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one?
The InChIKey is NNDRPIOMILSCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-9-10(2)20-14-12(9)13(15-8-16-14)19-7-6-17-5-3-4-11(17)18/h8H,3-7H2,1-2H3.
What are the key properties of 1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one?
1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one has a molecular weight of 307.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]pyrrolidin-2-one is sourced from PubChem (CID 78885228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).