4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

C22H17Cl2N3OS — CID 71658744

IUPAC4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESClc1ccc(-c2sc3ncnc(N4CCOCC4)c3c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17Cl2N3OS/c23-16-5-1-14(2-6-16)18-19-21(27-9-11-28-12-10-27)25-13-26-22(19)29-20(18)15-3-7-17(24)8-4-15/h1-8,13H,9-12H2
InChIKeyWZIHCXLSALYNTG-UHFFFAOYSA-N
MW442.37 g/mol
LogP6.17
Rot. Bonds3

About 4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 71658744) has the molecular formula C22H17Cl2N3OS and a molecular weight of 442.37 g/mol. Its IUPAC name is 4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID71658744
Molecular FormulaC22H17Cl2N3OS
Molecular Weight442.37 g/mol
Exact Mass441.05
IUPAC Name4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESClc1ccc(-c2sc3ncnc(N4CCOCC4)c3c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17Cl2N3OS/c23-16-5-1-14(2-6-16)18-19-21(27-9-11-28-12-10-27)25-13-26-22(19)29-20(18)15-3-7-17(24)8-4-15/h1-8,13H,9-12H2
InChIKeyWZIHCXLSALYNTG-UHFFFAOYSA-N
XLogP6.17
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.37
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]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-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (CID 71658744) is 4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is Clc1ccc(-c2sc3ncnc(N4CCOCC4)c3c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is WZIHCXLSALYNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3OS/c23-16-5-1-14(2-6-16)18-19-21(27-9-11-28-12-10-27)25-13-26-22(19)29-20(18)15-3-7-17(24)8-4-15/h1-8,13H,9-12H2.
What are the key properties of 4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 442.37 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-bis(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 71658744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).