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

C24H30N4O2S — CID 71572245

IUPAC4-[2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine
SMILESc1ccc(-c2csc3ncnc(N4CCC(COCCN5CCOCC5)CC4)c23)cc1
InChIInChI=1S/C24H30N4O2S/c1-2-4-20(5-3-1)21-17-31-24-22(21)23(25-18-26-24)28-8-6-19(7-9-28)16-30-15-12-27-10-13-29-14-11-27/h1-5,17-19H,6-16H2
InChIKeyKIFZIZYRYFINRP-UHFFFAOYSA-N
MW438.60 g/mol
LogP3.92
Rot. Bonds7

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

4-[2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine (PubChem CID 71572245) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 4-[2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine
PubChem CID71572245
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name4-[2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine
SMILESc1ccc(-c2csc3ncnc(N4CCC(COCCN5CCOCC5)CC4)c23)cc1
InChIInChI=1S/C24H30N4O2S/c1-2-4-20(5-3-1)21-17-31-24-22(21)23(25-18-26-24)28-8-6-19(7-9-28)16-30-15-12-27-10-13-29-14-11-27/h1-5,17-19H,6-16H2
InChIKeyKIFZIZYRYFINRP-UHFFFAOYSA-N
XLogP3.92
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine (CID 71572245) is 4-[2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine is c1ccc(-c2csc3ncnc(N4CCC(COCCN5CCOCC5)CC4)c23)cc1.
What is the InChIKey of 4-[2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine?
The InChIKey is KIFZIZYRYFINRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-2-4-20(5-3-1)21-17-31-24-22(21)23(25-18-26-24)28-8-6-19(7-9-28)16-30-15-12-27-10-13-29-14-11-27/h1-5,17-19H,6-16H2.
What are the key properties of 4-[2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine?
4-[2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine has a molecular weight of 438.60 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methoxy]ethyl]morpholine is sourced from PubChem (CID 71572245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).