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

C23H32N6O2S — CID 43069716

IUPAC4-[[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
SMILESCc1noc(C)c1CN1CCN(c2nc(CN3CCOCC3)nc3sc(C)c(C)c23)CC1
InChIInChI=1S/C23H32N6O2S/c1-15-18(4)32-23-21(15)22(24-20(25-23)14-28-9-11-30-12-10-28)29-7-5-27(6-8-29)13-19-16(2)26-31-17(19)3/h5-14H2,1-4H3
InChIKeyFYTXGCOLLIIDQT-UHFFFAOYSA-N
MW456.62 g/mol
LogP3.07
Rot. Bonds5

About 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

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 (PubChem CID 43069716) has the molecular formula C23H32N6O2S and a molecular weight of 456.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID43069716
Molecular FormulaC23H32N6O2S
Molecular Weight456.62 g/mol
Exact Mass456.23
IUPAC Name4-[[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
SMILESCc1noc(C)c1CN1CCN(c2nc(CN3CCOCC3)nc3sc(C)c(C)c23)CC1
InChIInChI=1S/C23H32N6O2S/c1-15-18(4)32-23-21(15)22(24-20(25-23)14-28-9-11-30-12-10-28)29-7-5-27(6-8-29)13-19-16(2)26-31-17(19)3/h5-14H2,1-4H3
InChIKeyFYTXGCOLLIIDQT-UHFFFAOYSA-N
XLogP3.07
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.62
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 167904296
4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 2561349
[1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24607766
[4-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 16558708
4-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2-thiophen-2-ylmorpholine
CID 133363705
1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine
CID 133363210
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
4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 2125585
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(C)c1CN1CCN(c2nc(CN3CCOCC3)nc3sc(C)c(C)c23)CC1.
What is the InChIKey of 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?
The InChIKey is FYTXGCOLLIIDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2S/c1-15-18(4)32-23-21(15)22(24-20(25-23)14-28-9-11-30-12-10-28)29-7-5-27(6-8-29)13-19-16(2)26-31-17(19)3/h5-14H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 456.62 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 43069716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).