4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine

C20H21N5O2S3 — CID 43022327

IUPAC4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESCc1sc2nc(CN3CCOCC3)nc(SCc3nc(-c4cccs4)no3)c2c1C
InChIInChI=1S/C20H21N5O2S3/c1-12-13(2)30-20-17(12)19(21-15(22-20)10-25-5-7-26-8-6-25)29-11-16-23-18(24-27-16)14-4-3-9-28-14/h3-4,9H,5-8,10-11H2,1-2H3
InChIKeyNEGKBBMIAGJUQM-UHFFFAOYSA-N
MW459.62 g/mol
LogP4.54
Rot. Bonds6

About 4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine

4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine (PubChem CID 43022327) has the molecular formula C20H21N5O2S3 and a molecular weight of 459.62 g/mol. Its IUPAC name is 4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
PubChem CID43022327
Molecular FormulaC20H21N5O2S3
Molecular Weight459.62 g/mol
Exact Mass459.09
IUPAC Name4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESCc1sc2nc(CN3CCOCC3)nc(SCc3nc(-c4cccs4)no3)c2c1C
InChIInChI=1S/C20H21N5O2S3/c1-12-13(2)30-20-17(12)19(21-15(22-20)10-25-5-7-26-8-6-25)29-11-16-23-18(24-27-16)14-4-3-9-28-14/h3-4,9H,5-8,10-11H2,1-2H3
InChIKeyNEGKBBMIAGJUQM-UHFFFAOYSA-N
XLogP4.54
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine with MolForge

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Related Compounds

4-[[5,6-dimethyl-4-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 133408485
2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 4817620
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31055335
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
[4-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 16558708
2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 55917812
1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916465
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 9022960
4-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2-thiophen-2-ylmorpholine
CID 133363705
4-[[5,6-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 43069761
4-[[5,6-dimethyl-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 17454543
N,5,6-trimethyl-N-[(2-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18079574

Frequently Asked Questions

What is the IUPAC name of 4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine (CID 43022327) is 4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine is Cc1sc2nc(CN3CCOCC3)nc(SCc3nc(-c4cccs4)no3)c2c1C.
What is the InChIKey of 4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The InChIKey is NEGKBBMIAGJUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S3/c1-12-13(2)30-20-17(12)19(21-15(22-20)10-25-5-7-26-8-6-25)29-11-16-23-18(24-27-16)14-4-3-9-28-14/h3-4,9H,5-8,10-11H2,1-2H3.
What are the key properties of 4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine has a molecular weight of 459.62 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine is sourced from PubChem (CID 43022327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).