4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine

C23H21FN4S — CID 44523935

IUPAC4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine
SMILESFc1ccc(CN2CCN(c3ncnc4cc(-c5ccccc5)sc34)CC2)cc1
InChIInChI=1S/C23H21FN4S/c24-19-8-6-17(7-9-19)15-27-10-12-28(13-11-27)23-22-20(25-16-26-23)14-21(29-22)18-4-2-1-3-5-18/h1-9,14,16H,10-13,15H2
InChIKeyFXWOXTXTZMNFRK-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.82
Rot. Bonds4

About 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine

4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine (PubChem CID 44523935) has the molecular formula C23H21FN4S and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine
PubChem CID44523935
Molecular FormulaC23H21FN4S
Molecular Weight404.51 g/mol
Exact Mass404.15
IUPAC Name4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine
SMILESFc1ccc(CN2CCN(c3ncnc4cc(-c5ccccc5)sc34)CC2)cc1
InChIInChI=1S/C23H21FN4S/c24-19-8-6-17(7-9-19)15-27-10-12-28(13-11-27)23-22-20(25-16-26-23)14-21(29-22)18-4-2-1-3-5-18/h1-9,14,16H,10-13,15H2
InChIKeyFXWOXTXTZMNFRK-UHFFFAOYSA-N
XLogP4.82
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine (CID 44523935) is 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine is Fc1ccc(CN2CCN(c3ncnc4cc(-c5ccccc5)sc34)CC2)cc1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine?
The InChIKey is FXWOXTXTZMNFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4S/c24-19-8-6-17(7-9-19)15-27-10-12-28(13-11-27)23-22-20(25-16-26-23)14-21(29-22)18-4-2-1-3-5-18/h1-9,14,16H,10-13,15H2.
What are the key properties of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine?
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine has a molecular weight of 404.51 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 44523935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).