6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine

C22H20N4S — CID 985269

IUPAC6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(N4CCN(c5ccccc5)CC4)ncnc3s2)cc1
InChIInChI=1S/C22H20N4S/c1-3-7-17(8-4-1)20-15-19-21(23-16-24-22(19)27-20)26-13-11-25(12-14-26)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyJLSWEJIMWGSBPU-UHFFFAOYSA-N
MW372.50 g/mol
LogP4.68
Rot. Bonds3

About 6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine

6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 985269) has the molecular formula C22H20N4S and a molecular weight of 372.50 g/mol. Its IUPAC name is 6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID985269
Molecular FormulaC22H20N4S
Molecular Weight372.50 g/mol
Exact Mass372.14
IUPAC Name6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(N4CCN(c5ccccc5)CC4)ncnc3s2)cc1
InChIInChI=1S/C22H20N4S/c1-3-7-17(8-4-1)20-15-19-21(23-16-24-22(19)27-20)26-13-11-25(12-14-26)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyJLSWEJIMWGSBPU-UHFFFAOYSA-N
XLogP4.68
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine (CID 985269) is 6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine is c1ccc(-c2cc3c(N4CCN(c5ccccc5)CC4)ncnc3s2)cc1.
What is the InChIKey of 6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is JLSWEJIMWGSBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S/c1-3-7-17(8-4-1)20-15-19-21(23-16-24-22(19)27-20)26-13-11-25(12-14-26)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2.
What are the key properties of 6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 372.50 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 985269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).