4-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine

C10H15FN2OS — CID 75437991

IUPAC4-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine
SMILESCCOCCSc1ncnc(CC)c1F
InChIInChI=1S/C10H15FN2OS/c1-3-8-9(11)10(13-7-12-8)15-6-5-14-4-2/h7H,3-6H2,1-2H3
InChIKeyWYRKJSKHGTWACY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.31
Rot. Bonds6

About 4-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine

4-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine (PubChem CID 75437991) has the molecular formula C10H15FN2OS and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine.

Molecular Properties

Compound Name4-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine
PubChem CID75437991
Molecular FormulaC10H15FN2OS
Molecular Weight230.31 g/mol
Exact Mass230.09
IUPAC Name4-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine
SMILESCCOCCSc1ncnc(CC)c1F
InChIInChI=1S/C10H15FN2OS/c1-3-8-9(11)10(13-7-12-8)15-6-5-14-4-2/h7H,3-6H2,1-2H3
InChIKeyWYRKJSKHGTWACY-UHFFFAOYSA-N
XLogP2.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.31
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-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine?
The IUPAC name of 4-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine (CID 75437991) is 4-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine.
What is the SMILES notation for 4-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine?
The canonical SMILES for 4-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine is CCOCCSc1ncnc(CC)c1F.
What is the InChIKey of 4-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine?
The InChIKey is WYRKJSKHGTWACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2OS/c1-3-8-9(11)10(13-7-12-8)15-6-5-14-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 4-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine?
4-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine has a molecular weight of 230.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylsulfanyl)-6-ethyl-5-fluoropyrimidine is sourced from PubChem (CID 75437991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).