1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone

C15H19N3O2S2 — CID 1440716

IUPAC1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
SMILESCc1nc(SCC(=O)N2CCOCC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C15H19N3O2S2/c1-9-10(2)22-15-13(9)14(16-11(3)17-15)21-8-12(19)18-4-6-20-7-5-18/h4-8H2,1-3H3
InChIKeyTVMMLEJOIZIFQR-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.57
Rot. Bonds3

About 1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone

1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone (PubChem CID 1440716) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
PubChem CID1440716
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
SMILESCc1nc(SCC(=O)N2CCOCC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C15H19N3O2S2/c1-9-10(2)22-15-13(9)14(16-11(3)17-15)21-8-12(19)18-4-6-20-7-5-18/h4-8H2,1-3H3
InChIKeyTVMMLEJOIZIFQR-UHFFFAOYSA-N
XLogP2.57
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-1-(4-morpholinyl)ethanone
CID 705250
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
Ethyl 2-(4-amino-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)acetate
CID 704281
2-[(4-amino-7-methyl-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-2-yl)thio]ethyl-dimethyl-amine
CID 664126
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
5,6,7,8-Tetrahydro-4-(4-morpholinyl)[1]benzothieno[2,3-d]pyrimidine
CID 722483
2-((Trimethylthieno(2,3-d)pyrimidin-4-yl)sulfanyl)acetic acid
CID 969868
4-({4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}methyl)morpholine
CID 2442208

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone (CID 1440716) is 1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone is Cc1nc(SCC(=O)N2CCOCC2)c2c(C)c(C)sc2n1.
What is the InChIKey of 1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
The InChIKey is TVMMLEJOIZIFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-9-10(2)22-15-13(9)14(16-11(3)17-15)21-8-12(19)18-4-6-20-7-5-18/h4-8H2,1-3H3.
What are the key properties of 1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone has a molecular weight of 337.47 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone is sourced from PubChem (CID 1440716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).