2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine

C28H30N4OS — CID 127037116

IUPAC2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine
SMILESc1ccc(-c2csc3ncnc(N4CCC(CN5CCOC(c6ccccc6)C5)CC4)c23)cc1
InChIInChI=1S/C28H30N4OS/c1-3-7-22(8-4-1)24-19-34-28-26(24)27(29-20-30-28)32-13-11-21(12-14-32)17-31-15-16-33-25(18-31)23-9-5-2-6-10-23/h1-10,19-21,25H,11-18H2
InChIKeyOPIOUTYIFGUUBV-UHFFFAOYSA-N
MW470.64 g/mol
LogP5.65
Rot. Bonds5

About 2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine

2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine (PubChem CID 127037116) has the molecular formula C28H30N4OS and a molecular weight of 470.64 g/mol. Its IUPAC name is 2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine
PubChem CID127037116
Molecular FormulaC28H30N4OS
Molecular Weight470.64 g/mol
Exact Mass470.21
IUPAC Name2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine
SMILESc1ccc(-c2csc3ncnc(N4CCC(CN5CCOC(c6ccccc6)C5)CC4)c23)cc1
InChIInChI=1S/C28H30N4OS/c1-3-7-22(8-4-1)24-19-34-28-26(24)27(29-20-30-28)32-13-11-21(12-14-32)17-31-15-16-33-25(18-31)23-9-5-2-6-10-23/h1-10,19-21,25H,11-18H2
InChIKeyOPIOUTYIFGUUBV-UHFFFAOYSA-N
XLogP5.65
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.64
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine?
The IUPAC name of 2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine (CID 127037116) is 2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine is c1ccc(-c2csc3ncnc(N4CCC(CN5CCOC(c6ccccc6)C5)CC4)c23)cc1.
What is the InChIKey of 2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine?
The InChIKey is OPIOUTYIFGUUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4OS/c1-3-7-22(8-4-1)24-19-34-28-26(24)27(29-20-30-28)32-13-11-21(12-14-32)17-31-15-16-33-25(18-31)23-9-5-2-6-10-23/h1-10,19-21,25H,11-18H2.
What are the key properties of 2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine?
2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine has a molecular weight of 470.64 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 127037116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).