4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine

C21H18FN3O2S2 — CID 30225587

IUPAC4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESFc1ccccc1Oc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C21H18FN3O2S2/c22-15-4-1-2-5-16(15)27-20-19-14(17-6-3-11-28-17)13-29-21(19)24-18(23-20)12-25-7-9-26-10-8-25/h1-6,11,13H,7-10,12H2
InChIKeyBFTXTISBXLSQIC-UHFFFAOYSA-N
MW427.53 g/mol
LogP5.18
Rot. Bonds5

About 4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine

4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine (PubChem CID 30225587) has the molecular formula C21H18FN3O2S2 and a molecular weight of 427.53 g/mol. Its IUPAC name is 4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
PubChem CID30225587
Molecular FormulaC21H18FN3O2S2
Molecular Weight427.53 g/mol
Exact Mass427.08
IUPAC Name4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESFc1ccccc1Oc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C21H18FN3O2S2/c22-15-4-1-2-5-16(15)27-20-19-14(17-6-3-11-28-17)13-29-21(19)24-18(23-20)12-25-7-9-26-10-8-25/h1-6,11,13H,7-10,12H2
InChIKeyBFTXTISBXLSQIC-UHFFFAOYSA-N
XLogP5.18
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine with MolForge

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Related Compounds

4-methyl-7-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxychromen-2-one
CID 42996951
4-[[5-phenyl-4-(2-propan-2-ylphenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 4842597
N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 9196239
4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 25489445
2-(morpholin-4-ylmethyl)-N-(oxan-2-yloxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 47091036
4-[(4-phenoxy-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-4-ium
CID 9213381
4-[[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 43036364
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile
CID 133391513
N-(2-methoxyethyl)-2-[methyl-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 24508399
2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 52910038
N-methyl-4-[[methyl-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide
CID 17437411
2-fluoro-6-[[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]oxy]benzonitrile
CID 133391514

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine (CID 30225587) is 4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine is Fc1ccccc1Oc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12.
What is the InChIKey of 4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The InChIKey is BFTXTISBXLSQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S2/c22-15-4-1-2-5-16(15)27-20-19-14(17-6-3-11-28-17)13-29-21(19)24-18(23-20)12-25-7-9-26-10-8-25/h1-6,11,13H,7-10,12H2.
What are the key properties of 4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine has a molecular weight of 427.53 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine is sourced from PubChem (CID 30225587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).