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

C21H22N6OS3 — CID 43036364

IUPAC4-[[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESCn1c(Sc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)nnc1C1CC1
InChIInChI=1S/C21H22N6OS3/c1-26-18(13-4-5-13)24-25-21(26)31-20-17-14(15-3-2-10-29-15)12-30-19(17)22-16(23-20)11-27-6-8-28-9-7-27/h2-3,10,12-13H,4-9,11H2,1H3
InChIKeyZWXHQJOBRDFJOB-UHFFFAOYSA-N
MW470.65 g/mol
LogP4.41
Rot. Bonds6

About 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

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 (PubChem CID 43036364) has the molecular formula C21H22N6OS3 and a molecular weight of 470.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
PubChem CID43036364
Molecular FormulaC21H22N6OS3
Molecular Weight470.65 g/mol
Exact Mass470.10
IUPAC Name4-[[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESCn1c(Sc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)nnc1C1CC1
InChIInChI=1S/C21H22N6OS3/c1-26-18(13-4-5-13)24-25-21(26)31-20-17-14(15-3-2-10-29-15)12-30-19(17)22-16(23-20)11-27-6-8-28-9-7-27/h2-3,10,12-13H,4-9,11H2,1H3
InChIKeyZWXHQJOBRDFJOB-UHFFFAOYSA-N
XLogP4.41
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.65
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 25489445
4-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 4788374
N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 9196239
4-[[4-(2-fluorophenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 30225587
2-(morpholin-4-ylmethyl)-N-(oxan-2-yloxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 47091036
4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 24566190
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
4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-(piperidin-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 166353600
N-methyl-4-[[methyl-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide
CID 17437411
4-methyl-7-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]oxychromen-2-one
CID 42996951
2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile
CID 8888264

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(Sc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)nnc1C1CC1.
What is the InChIKey of 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?
The InChIKey is ZWXHQJOBRDFJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6OS3/c1-26-18(13-4-5-13)24-25-21(26)31-20-17-14(15-3-2-10-29-15)12-30-19(17)22-16(23-20)11-27-6-8-28-9-7-27/h2-3,10,12-13H,4-9,11H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 470.65 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 43036364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).