2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone

C18H18N2OS2 — CID 16627264

IUPAC2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CSc2ncnc3sc(C)cc23)c(C)c1
InChIInChI=1S/C18H18N2OS2/c1-10-5-11(2)16(12(3)6-10)15(21)8-22-17-14-7-13(4)23-18(14)20-9-19-17/h5-7,9H,8H2,1-4H3
InChIKeyYEMKBPMOXHQRJW-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.90
Rot. Bonds4

About 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone

2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 16627264) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID16627264
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC Name2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CSc2ncnc3sc(C)cc23)c(C)c1
InChIInChI=1S/C18H18N2OS2/c1-10-5-11(2)16(12(3)6-10)15(21)8-22-17-14-7-13(4)23-18(14)20-9-19-17/h5-7,9H,8H2,1-4H3
InChIKeyYEMKBPMOXHQRJW-UHFFFAOYSA-N
XLogP4.90
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 2478100
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone
CID 39163135
N-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 6457426
2-[[5-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone
CID 2469060
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 6458768
1-[2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 82033801
2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 106924031
N-(2,4-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 6459909
1-(2,4-dimethylphenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 42105403
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 135102045
1-(4-chlorophenyl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 696855
(6-methylthieno[2,3-d]pyrimidin-4-yl) pyrrolidine-1-carbodithioate
CID 133407460

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone (CID 16627264) is 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CSc2ncnc3sc(C)cc23)c(C)c1.
What is the InChIKey of 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is YEMKBPMOXHQRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS2/c1-10-5-11(2)16(12(3)6-10)15(21)8-22-17-14-7-13(4)23-18(14)20-9-19-17/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 342.49 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 16627264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).