4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine

C9H13ClN2OS — CID 80936473

IUPAC4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine
SMILESCCc1nc(Cl)cc(SCCOC)n1
InChIInChI=1S/C9H13ClN2OS/c1-3-8-11-7(10)6-9(12-8)14-5-4-13-2/h6H,3-5H2,1-2H3
InChIKeyUYPFHZDWUQKIOB-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.43
Rot. Bonds5

About 4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine

4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine (PubChem CID 80936473) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine
PubChem CID80936473
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine
SMILESCCc1nc(Cl)cc(SCCOC)n1
InChIInChI=1S/C9H13ClN2OS/c1-3-8-11-7(10)6-9(12-8)14-5-4-13-2/h6H,3-5H2,1-2H3
InChIKeyUYPFHZDWUQKIOB-UHFFFAOYSA-N
XLogP2.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.43
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

4-chloro-2-ethyl-6-pentylsulfanylpyrimidine
CID 107751102
4-chloro-6-(3-methoxypropylsulfanyl)-2-methylpyrimidine
CID 63856300
4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine
CID 133461474
4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine
CID 61412759
6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113401713
6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine
CID 80947939
4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 80936034
4-chloro-2,6-diethylpyrimidine
CID 43557605
2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol
CID 80545723
4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine
CID 107780879
4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine
CID 80936563
4-chloro-6-(3,5-dichlorophenyl)sulfanyl-2-(methoxymethyl)pyrimidine
CID 112736303

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine (CID 80936473) is 4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine is CCc1nc(Cl)cc(SCCOC)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine?
The InChIKey is UYPFHZDWUQKIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-3-8-11-7(10)6-9(12-8)14-5-4-13-2/h6H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine?
4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine has a molecular weight of 232.74 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine is sourced from PubChem (CID 80936473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).