2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine

C7H8ClFN2OS — CID 79076111

IUPAC2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine
SMILESCOCCSc1nc(Cl)ncc1F
InChIInChI=1S/C7H8ClFN2OS/c1-12-2-3-13-6-5(9)4-10-7(8)11-6/h4H,2-3H2,1H3
InChIKeyLHYUTIXZHGIEAM-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.01
Rot. Bonds4

About 2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine

2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine (PubChem CID 79076111) has the molecular formula C7H8ClFN2OS and a molecular weight of 222.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine
PubChem CID79076111
Molecular FormulaC7H8ClFN2OS
Molecular Weight222.67 g/mol
Exact Mass222.00
IUPAC Name2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine
SMILESCOCCSc1nc(Cl)ncc1F
InChIInChI=1S/C7H8ClFN2OS/c1-12-2-3-13-6-5(9)4-10-7(8)11-6/h4H,2-3H2,1H3
InChIKeyLHYUTIXZHGIEAM-UHFFFAOYSA-N
XLogP2.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.01
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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Related Compounds

2-Chloro-5-fluoro-4-(methylsulfanyl)pyrimidine
CID 13608251
2-Chloro-5-fluoro-4-thiocyanopyrimidine
CID 14256952
2-Methoxy-4-methylsulfanyl-pyrimidine
CID 295924
2-Chloro-4-ethylsulfanyl-5-fluoropyrimidine
CID 13530705
2-Chloro-5-methyl-4-(methylthio)pyrimidine
CID 21267740
2,4-Bis(methylthio)-5-fluoropyrimidine
CID 10921327
5-Fluoro-4-(methylthio)pyrimidine
CID 57022379
(5-Fluoropyrimidin-4-yl) thiocyanate
CID 57249429
5-Fluoro-2-(2-methylsulfanylethoxy)pyrimidin-4-amine
CID 57819103
2-Chloro-4-methylsulfanyl-5-trifluoromethylpyrimidine
CID 58464574
5-Fluoro-2,4-bis(prop-2-enylsulfanyl)pyrimidine
CID 67812528
5-Fluoro-4-prop-2-enylsulfanylpyrimidine
CID 70590512

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine (CID 79076111) is 2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine is COCCSc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine?
The InChIKey is LHYUTIXZHGIEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2OS/c1-12-2-3-13-6-5(9)4-10-7(8)11-6/h4H,2-3H2,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine?
2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine has a molecular weight of 222.67 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(2-methoxyethylsulfanyl)pyrimidine is sourced from PubChem (CID 79076111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).