1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone

C14H17N3O2S2 — CID 3000184

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
SMILESCC1CN(C(=O)CSc2ncnc3sccc23)CC(C)O1
InChIInChI=1S/C14H17N3O2S2/c1-9-5-17(6-10(2)19-9)12(18)7-21-14-11-3-4-20-13(11)15-8-16-14/h3-4,8-10H,5-7H2,1-2H3
InChIKeyOCQCMNWIQRZMKJ-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.42
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone

1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone (PubChem CID 3000184) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
PubChem CID3000184
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
SMILESCC1CN(C(=O)CSc2ncnc3sccc23)CC(C)O1
InChIInChI=1S/C14H17N3O2S2/c1-9-5-17(6-10(2)19-9)12(18)7-21-14-11-3-4-20-13(11)15-8-16-14/h3-4,8-10H,5-7H2,1-2H3
InChIKeyOCQCMNWIQRZMKJ-UHFFFAOYSA-N
XLogP2.42
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone (CID 3000184) is 1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone is CC1CN(C(=O)CSc2ncnc3sccc23)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The InChIKey is OCQCMNWIQRZMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-9-5-17(6-10(2)19-9)12(18)7-21-14-11-3-4-20-13(11)15-8-16-14/h3-4,8-10H,5-7H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone has a molecular weight of 323.44 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone is sourced from PubChem (CID 3000184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).