2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone

C17H23N3O2S2 — CID 1440777

IUPAC2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1sc2nc(C(C)C)nc(SCC(=O)N3CCOCC3)c2c1C
InChIInChI=1S/C17H23N3O2S2/c1-10(2)15-18-16(14-11(3)12(4)24-17(14)19-15)23-9-13(21)20-5-7-22-8-6-20/h10H,5-9H2,1-4H3
InChIKeyFFYSNJUKIFXMAR-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.38
Rot. Bonds4

About 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone

2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 1440777) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID1440777
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC Name2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1sc2nc(C(C)C)nc(SCC(=O)N3CCOCC3)c2c1C
InChIInChI=1S/C17H23N3O2S2/c1-10(2)15-18-16(14-11(3)12(4)24-17(14)19-15)23-9-13(21)20-5-7-22-8-6-20/h10H,5-9H2,1-4H3
InChIKeyFFYSNJUKIFXMAR-UHFFFAOYSA-N
XLogP3.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-1-(4-morpholinyl)ethanone
CID 705250
2-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio)-1-(pyrrolidin-1-yl)ethanone
CID 711239
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
2-(5,6-dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)-N,N-diethylacetamide
CID 865962
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
7-Ethyl-4-morpholin-4-yl-5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]pyrimidine
CID 3000111
1-Morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 1440716
2-[(10-Methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1587939
4-({4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}methyl)morpholine
CID 2442208
2-[(4-amino-7-methyl-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-2-yl)thio]-1-(4-methylpiperidino)ethanone
CID 664513

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone (CID 1440777) is 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone is Cc1sc2nc(C(C)C)nc(SCC(=O)N3CCOCC3)c2c1C.
What is the InChIKey of 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is FFYSNJUKIFXMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-10(2)15-18-16(14-11(3)12(4)24-17(14)19-15)23-9-13(21)20-5-7-22-8-6-20/h10H,5-9H2,1-4H3.
What are the key properties of 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 365.52 g/mol, XLogP of 3.38, 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)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 1440777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).