4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine

C14H11FN2OS2 — CID 2567286

IUPAC4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine
SMILESCOc1ccc(CSc2ncnc3sccc23)cc1F
InChIInChI=1S/C14H11FN2OS2/c1-18-12-3-2-9(6-11(12)15)7-20-14-10-4-5-19-13(10)16-8-17-14/h2-6,8H,7H2,1H3
InChIKeyGAMMZILITSIIPO-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.13
Rot. Bonds4

About 4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine

4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine (PubChem CID 2567286) has the molecular formula C14H11FN2OS2 and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine
PubChem CID2567286
Molecular FormulaC14H11FN2OS2
Molecular Weight306.39 g/mol
Exact Mass306.03
IUPAC Name4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine
SMILESCOc1ccc(CSc2ncnc3sccc23)cc1F
InChIInChI=1S/C14H11FN2OS2/c1-18-12-3-2-9(6-11(12)15)7-20-14-10-4-5-19-13(10)16-8-17-14/h2-6,8H,7H2,1H3
InChIKeyGAMMZILITSIIPO-UHFFFAOYSA-N
XLogP4.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine (CID 2567286) is 4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine is COc1ccc(CSc2ncnc3sccc23)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine?
The InChIKey is GAMMZILITSIIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS2/c1-18-12-3-2-9(6-11(12)15)7-20-14-10-4-5-19-13(10)16-8-17-14/h2-6,8H,7H2,1H3.
What are the key properties of 4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine?
4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine has a molecular weight of 306.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2567286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).