4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine

C7H9FN2OS — CID 115417325

IUPAC4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine
SMILESCOCCSc1cc(F)ncn1
InChIInChI=1S/C7H9FN2OS/c1-11-2-3-12-7-4-6(8)9-5-10-7/h4-5H,2-3H2,1H3
InChIKeyXWISAWDSDWXGJJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.35
Rot. Bonds4

About 4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine

4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine (PubChem CID 115417325) has the molecular formula C7H9FN2OS and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine
PubChem CID115417325
Molecular FormulaC7H9FN2OS
Molecular Weight188.23 g/mol
Exact Mass188.04
IUPAC Name4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine
SMILESCOCCSc1cc(F)ncn1
InChIInChI=1S/C7H9FN2OS/c1-11-2-3-12-7-4-6(8)9-5-10-7/h4-5H,2-3H2,1H3
InChIKeyXWISAWDSDWXGJJ-UHFFFAOYSA-N
XLogP1.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine?
The IUPAC name of 4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine (CID 115417325) is 4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine?
The canonical SMILES for 4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine is COCCSc1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine?
The InChIKey is XWISAWDSDWXGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2OS/c1-11-2-3-12-7-4-6(8)9-5-10-7/h4-5H,2-3H2,1H3.
What are the key properties of 4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine?
4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine has a molecular weight of 188.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-methoxyethylsulfanyl)pyrimidine is sourced from PubChem (CID 115417325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).