6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine

C16H15FN4S — CID 66801974

IUPAC6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2cc3cnc(N4CCNCC4)nc3s2)cc1
InChIInChI=1S/C16H15FN4S/c17-13-3-1-11(2-4-13)14-9-12-10-19-16(20-15(12)22-14)21-7-5-18-6-8-21/h1-4,9-10,18H,5-8H2
InChIKeyMYZUSCUHYFIASS-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.91
Rot. Bonds2

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

6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 66801974) has the molecular formula C16H15FN4S and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine
PubChem CID66801974
Molecular FormulaC16H15FN4S
Molecular Weight314.39 g/mol
Exact Mass314.10
IUPAC Name6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2cc3cnc(N4CCNCC4)nc3s2)cc1
InChIInChI=1S/C16H15FN4S/c17-13-3-1-11(2-4-13)14-9-12-10-19-16(20-15(12)22-14)21-7-5-18-6-8-21/h1-4,9-10,18H,5-8H2
InChIKeyMYZUSCUHYFIASS-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine (CID 66801974) is 6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine is Fc1ccc(-c2cc3cnc(N4CCNCC4)nc3s2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is MYZUSCUHYFIASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4S/c17-13-3-1-11(2-4-13)14-9-12-10-19-16(20-15(12)22-14)21-7-5-18-6-8-21/h1-4,9-10,18H,5-8H2.
What are the key properties of 6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 314.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 66801974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).