4-butylsulfanylthieno[2,3-d]pyrimidine

C10H12N2S2 — CID 2418745

IUPAC4-butylsulfanylthieno[2,3-d]pyrimidine
SMILESCCCCSc1ncnc2sccc12
InChIInChI=1S/C10H12N2S2/c1-2-3-5-13-9-8-4-6-14-10(8)12-7-11-9/h4,6-7H,2-3,5H2,1H3
InChIKeyWRUZOTFITVLNRY-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.58
Rot. Bonds4

About 4-butylsulfanylthieno[2,3-d]pyrimidine

4-butylsulfanylthieno[2,3-d]pyrimidine (PubChem CID 2418745) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-butylsulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-butylsulfanylthieno[2,3-d]pyrimidine
PubChem CID2418745
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name4-butylsulfanylthieno[2,3-d]pyrimidine
SMILESCCCCSc1ncnc2sccc12
InChIInChI=1S/C10H12N2S2/c1-2-3-5-13-9-8-4-6-14-10(8)12-7-11-9/h4,6-7H,2-3,5H2,1H3
InChIKeyWRUZOTFITVLNRY-UHFFFAOYSA-N
XLogP3.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butylsulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-butylsulfanylthieno[2,3-d]pyrimidine (CID 2418745) is 4-butylsulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-butylsulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-butylsulfanylthieno[2,3-d]pyrimidine is CCCCSc1ncnc2sccc12.
What is the InChIKey of 4-butylsulfanylthieno[2,3-d]pyrimidine?
The InChIKey is WRUZOTFITVLNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-2-3-5-13-9-8-4-6-14-10(8)12-7-11-9/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 4-butylsulfanylthieno[2,3-d]pyrimidine?
4-butylsulfanylthieno[2,3-d]pyrimidine has a molecular weight of 224.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2418745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).