2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone

C13H15N3O2S2 — CID 2062917

IUPAC2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1nc(SCC(=O)N2CCOCC2)c2ccsc2n1
InChIInChI=1S/C13H15N3O2S2/c1-9-14-12-10(2-7-19-12)13(15-9)20-8-11(17)16-3-5-18-6-4-16/h2,7H,3-6,8H2,1H3
InChIKeyIIEWZQVVOGTBRA-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.95
Rot. Bonds3

About 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone

2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 2062917) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID2062917
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1nc(SCC(=O)N2CCOCC2)c2ccsc2n1
InChIInChI=1S/C13H15N3O2S2/c1-9-14-12-10(2-7-19-12)13(15-9)20-8-11(17)16-3-5-18-6-4-16/h2,7H,3-6,8H2,1H3
InChIKeyIIEWZQVVOGTBRA-UHFFFAOYSA-N
XLogP1.95
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2373458
1-(3,5-Dimethylpiperidin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 16307075
N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 3690052
N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 155529141
1-(Piperidin-1-yl)-2-(thieno[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
CID 4621619
N-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2555923
N,N-diethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 155567356
2-Methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2239060
2-Chloro-4-(morpholin-4-yl)thieno(2,3-d)pyrimidine
CID 13038189
Ethyl 4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)piperazine-1-carboxylate
CID 2441690
N,N-diethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2533388
1-(2,6-Dimethylmorpholin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 3000184

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone (CID 2062917) is 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone is Cc1nc(SCC(=O)N2CCOCC2)c2ccsc2n1.
What is the InChIKey of 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is IIEWZQVVOGTBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-9-14-12-10(2-7-19-12)13(15-9)20-8-11(17)16-3-5-18-6-4-16/h2,7H,3-6,8H2,1H3.
What are the key properties of 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 309.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 2062917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).