4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine

C24H19N3OS2 — CID 71481720

IUPAC4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine
SMILESc1ccc2sc(-c3cc(-c4cc5ccccc5s4)nc(N4CCOCC4)n3)cc2c1
InChIInChI=1S/C24H19N3OS2/c1-3-7-20-16(5-1)13-22(29-20)18-15-19(23-14-17-6-2-4-8-21(17)30-23)26-24(25-18)27-9-11-28-12-10-27/h1-8,13-15H,9-12H2
InChIKeyWXYOXOAEBGINAJ-UHFFFAOYSA-N
MW429.57 g/mol
LogP6.08
Rot. Bonds3

About 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine

4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine (PubChem CID 71481720) has the molecular formula C24H19N3OS2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine
PubChem CID71481720
Molecular FormulaC24H19N3OS2
Molecular Weight429.57 g/mol
Exact Mass429.10
IUPAC Name4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine
SMILESc1ccc2sc(-c3cc(-c4cc5ccccc5s4)nc(N4CCOCC4)n3)cc2c1
InChIInChI=1S/C24H19N3OS2/c1-3-7-20-16(5-1)13-22(29-20)18-15-19(23-14-17-6-2-4-8-21(17)30-23)26-24(25-18)27-9-11-28-12-10-27/h1-8,13-15H,9-12H2
InChIKeyWXYOXOAEBGINAJ-UHFFFAOYSA-N
XLogP6.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine (CID 71481720) is 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine is c1ccc2sc(-c3cc(-c4cc5ccccc5s4)nc(N4CCOCC4)n3)cc2c1.
What is the InChIKey of 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine?
The InChIKey is WXYOXOAEBGINAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3OS2/c1-3-7-20-16(5-1)13-22(29-20)18-15-19(23-14-17-6-2-4-8-21(17)30-23)26-24(25-18)27-9-11-28-12-10-27/h1-8,13-15H,9-12H2.
What are the key properties of 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine?
4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine has a molecular weight of 429.57 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 71481720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).