4-ethylsulfanyl-5-iodopyrimidine

C6H7IN2S — CID 66318489

IUPAC4-ethylsulfanyl-5-iodopyrimidine
SMILESCCSc1ncncc1I
InChIInChI=1S/C6H7IN2S/c1-2-10-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3
InChIKeyKPIKGVUAXAXPFE-UHFFFAOYSA-N
MW266.11 g/mol
LogP2.19
Rot. Bonds2

About 4-ethylsulfanyl-5-iodopyrimidine

4-ethylsulfanyl-5-iodopyrimidine (PubChem CID 66318489) has the molecular formula C6H7IN2S and a molecular weight of 266.11 g/mol. Its IUPAC name is 4-ethylsulfanyl-5-iodopyrimidine.

Molecular Properties

Compound Name4-ethylsulfanyl-5-iodopyrimidine
PubChem CID66318489
Molecular FormulaC6H7IN2S
Molecular Weight266.11 g/mol
Exact Mass265.94
IUPAC Name4-ethylsulfanyl-5-iodopyrimidine
SMILESCCSc1ncncc1I
InChIInChI=1S/C6H7IN2S/c1-2-10-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3
InChIKeyKPIKGVUAXAXPFE-UHFFFAOYSA-N
XLogP2.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.11
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-5-iodopyrimidine?
The IUPAC name of 4-ethylsulfanyl-5-iodopyrimidine (CID 66318489) is 4-ethylsulfanyl-5-iodopyrimidine.
What is the SMILES notation for 4-ethylsulfanyl-5-iodopyrimidine?
The canonical SMILES for 4-ethylsulfanyl-5-iodopyrimidine is CCSc1ncncc1I.
What is the InChIKey of 4-ethylsulfanyl-5-iodopyrimidine?
The InChIKey is KPIKGVUAXAXPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2S/c1-2-10-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3.
What are the key properties of 4-ethylsulfanyl-5-iodopyrimidine?
4-ethylsulfanyl-5-iodopyrimidine has a molecular weight of 266.11 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-5-iodopyrimidine is sourced from PubChem (CID 66318489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).