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

C14H17N3OS2 — CID 711239

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCc1sc2ncnc(SCC(=O)N3CCCC3)c2c1C
InChIInChI=1S/C14H17N3OS2/c1-9-10(2)20-14-12(9)13(15-8-16-14)19-7-11(18)17-5-3-4-6-17/h8H,3-7H2,1-2H3
InChIKeyLUKVWNKSMOCBLZ-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.02
Rot. Bonds3

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

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 711239) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID711239
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCc1sc2ncnc(SCC(=O)N3CCCC3)c2c1C
InChIInChI=1S/C14H17N3OS2/c1-9-10(2)20-14-12(9)13(15-8-16-14)19-7-11(18)17-5-3-4-6-17/h8H,3-7H2,1-2H3
InChIKeyLUKVWNKSMOCBLZ-UHFFFAOYSA-N
XLogP3.02
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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

5,6-Dimethylthieno(2,3-d)pyrimidin-4-amine
CID 290232
2-[(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-1-(4-morpholinyl)ethanone
CID 705250
5,6-Dimethyl-4-(methylsulfanyl)thieno[2,3-D]pyrimidine
CID 865968
2-[5-Methyl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
CID 156016543
3-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)pentane-2,4-dione
CID 722190
1-Piperidin-1-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 858935
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 859560
N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 862674
2-(5,6-dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)-N,N-diethylacetamide
CID 865962
1-[3-[(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 2576098
2-[[4-(ethylamino)-7-methyl-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-2-yl]sulfanyl]acetamide
CID 2817154
N-Cyclopropyl-2-(2-ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetamide
CID 3218956

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 711239) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone is Cc1sc2ncnc(SCC(=O)N3CCCC3)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is LUKVWNKSMOCBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-9-10(2)20-14-12(9)13(15-8-16-14)19-7-11(18)17-5-3-4-6-17/h8H,3-7H2,1-2H3.
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 307.44 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 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)sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 711239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).