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

C21H29N7O2S — CID 43069761

IUPAC4-[[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
SMILESCc1noc(CN2CCN(c3nc(CN4CCOCC4)nc4sc(C)c(C)c34)CC2)n1
InChIInChI=1S/C21H29N7O2S/c1-14-15(2)31-21-19(14)20(23-17(24-21)12-27-8-10-29-11-9-27)28-6-4-26(5-7-28)13-18-22-16(3)25-30-18/h4-13H2,1-3H3
InChIKeyPHUNWQJYAIHLCV-UHFFFAOYSA-N
MW443.58 g/mol
LogP2.15
Rot. Bonds5

About 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

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 (PubChem CID 43069761) has the molecular formula C21H29N7O2S and a molecular weight of 443.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID43069761
Molecular FormulaC21H29N7O2S
Molecular Weight443.58 g/mol
Exact Mass443.21
IUPAC Name4-[[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
SMILESCc1noc(CN2CCN(c3nc(CN4CCOCC4)nc4sc(C)c(C)c34)CC2)n1
InChIInChI=1S/C21H29N7O2S/c1-14-15(2)31-21-19(14)20(23-17(24-21)12-27-8-10-29-11-9-27)28-6-4-26(5-7-28)13-18-22-16(3)25-30-18/h4-13H2,1-3H3
InChIKeyPHUNWQJYAIHLCV-UHFFFAOYSA-N
XLogP2.15
TPSA83.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

4-[[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 43069716
4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 2561349
[4-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 16558708
[1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24607766
1-[4-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 166184213
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 133274015
1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine
CID 133363210
4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 2125585
4-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2-thiophen-2-ylmorpholine
CID 133363705
4-[[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 167839569
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18074902
4-[[5,6-dimethyl-4-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 133408485

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(CN2CCN(c3nc(CN4CCOCC4)nc4sc(C)c(C)c34)CC2)n1.
What is the InChIKey of 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?
The InChIKey is PHUNWQJYAIHLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O2S/c1-14-15(2)31-21-19(14)20(23-17(24-21)12-27-8-10-29-11-9-27)28-6-4-26(5-7-28)13-18-22-16(3)25-30-18/h4-13H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 443.58 g/mol, XLogP of 2.15, 5 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-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine is sourced from PubChem (CID 43069761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).