4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine

C23H28N6OS — CID 67258026

IUPAC4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine
SMILESCc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3CCN3CCOCC3)nc2n1
InChIInChI=1S/C23H28N6OS/c1-17-14-18(2)29-15-19(25-23(29)24-17)5-6-22-26-20(21-4-3-13-31-21)16-28(22)8-7-27-9-11-30-12-10-27/h3-4,13-16H,5-12H2,1-2H3
InChIKeyCTLWTUUJCCKOQB-UHFFFAOYSA-N
MW436.59 g/mol
LogP3.39
Rot. Bonds7

About 4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine

4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine (PubChem CID 67258026) has the molecular formula C23H28N6OS and a molecular weight of 436.59 g/mol. Its IUPAC name is 4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine
PubChem CID67258026
Molecular FormulaC23H28N6OS
Molecular Weight436.59 g/mol
Exact Mass436.20
IUPAC Name4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine
SMILESCc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3CCN3CCOCC3)nc2n1
InChIInChI=1S/C23H28N6OS/c1-17-14-18(2)29-15-19(25-23(29)24-17)5-6-22-26-20(21-4-3-13-31-21)16-28(22)8-7-27-9-11-30-12-10-27/h3-4,13-16H,5-12H2,1-2H3
InChIKeyCTLWTUUJCCKOQB-UHFFFAOYSA-N
XLogP3.39
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine (CID 67258026) is 4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine is Cc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3CCN3CCOCC3)nc2n1.
What is the InChIKey of 4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine?
The InChIKey is CTLWTUUJCCKOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6OS/c1-17-14-18(2)29-15-19(25-23(29)24-17)5-6-22-26-20(21-4-3-13-31-21)16-28(22)8-7-27-9-11-30-12-10-27/h3-4,13-16H,5-12H2,1-2H3.
What are the key properties of 4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine?
4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine has a molecular weight of 436.59 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 67258026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).