1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone

C24H23N3O4S2 — CID 2539973

IUPAC1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(Oc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)c1
InChIInChI=1S/C24H23N3O4S2/c1-15(28)17-6-5-16(29-2)12-19(17)31-23-22-18(20-4-3-11-32-20)14-33-24(22)26-21(25-23)13-27-7-9-30-10-8-27/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyWEBIAXMNJZOOHJ-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.26
Rot. Bonds7

About 1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone

1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone (PubChem CID 2539973) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone
PubChem CID2539973
Molecular FormulaC24H23N3O4S2
Molecular Weight481.60 g/mol
Exact Mass481.11
IUPAC Name1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(Oc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)c1
InChIInChI=1S/C24H23N3O4S2/c1-15(28)17-6-5-16(29-2)12-19(17)31-23-22-18(20-4-3-11-32-20)14-33-24(22)26-21(25-23)13-27-7-9-30-10-8-27/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyWEBIAXMNJZOOHJ-UHFFFAOYSA-N
XLogP5.26
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone?
The IUPAC name of 1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone (CID 2539973) is 1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone is COc1ccc(C(C)=O)c(Oc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)c1.
What is the InChIKey of 1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone?
The InChIKey is WEBIAXMNJZOOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-15(28)17-6-5-16(29-2)12-19(17)31-23-22-18(20-4-3-11-32-20)14-33-24(22)26-21(25-23)13-27-7-9-30-10-8-27/h3-6,11-12,14H,7-10,13H2,1-2H3.
What are the key properties of 1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone?
1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone has a molecular weight of 481.60 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxyphenyl]ethanone is sourced from PubChem (CID 2539973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).