4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol

C16H15FN2OS — CID 11551213

IUPAC4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol
SMILESOCCCCc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C16H15FN2OS/c17-12-6-4-11(5-7-12)13-9-21-16-15(13)14(18-10-19-16)3-1-2-8-20/h4-7,9-10,20H,1-3,8H2
InChIKeyRCUDCNNBMDZSCL-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.81
Rot. Bonds5

About 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol

4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol (PubChem CID 11551213) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol
PubChem CID11551213
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol
SMILESOCCCCc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C16H15FN2OS/c17-12-6-4-11(5-7-12)13-9-21-16-15(13)14(18-10-19-16)3-1-2-8-20/h4-7,9-10,20H,1-3,8H2
InChIKeyRCUDCNNBMDZSCL-UHFFFAOYSA-N
XLogP3.81
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-Phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 4540225
4-[(4-Fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 731474
2-({5-Phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetic acid
CID 724891
4-[(4-Fluorobenzyl)thio]-5-phenylthieno[2,3-d]pyrimidine
CID 1191721
[1-[[1-(5-Phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 127034686
2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide
CID 703907
1-{[5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]thio}acetone
CID 733168
2-{4-[5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}ethanol
CID 1164759
3-(5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-ylthio)propanoic acid
CID 51355410
2-[Methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]-3-phenylpropan-1-ol
CID 89579842
[1-[Methyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]cyclopentyl]methanol
CID 127037115
3-((5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)amino)propan-1-ol
CID 1571939

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol?
The IUPAC name of 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol (CID 11551213) is 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol.
What is the SMILES notation for 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol?
The canonical SMILES for 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol is OCCCCc1ncnc2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol?
The InChIKey is RCUDCNNBMDZSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c17-12-6-4-11(5-7-12)13-9-21-16-15(13)14(18-10-19-16)3-1-2-8-20/h4-7,9-10,20H,1-3,8H2.
What are the key properties of 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol?
4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol has a molecular weight of 302.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol is sourced from PubChem (CID 11551213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).