4-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine

C8H11ClN2OS — CID 63731659

IUPAC4-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine
SMILESCOCCSc1ncnc(Cl)c1C
InChIInChI=1S/C8H11ClN2OS/c1-6-7(9)10-5-11-8(6)13-4-3-12-2/h5H,3-4H2,1-2H3
InChIKeyGHZNXLBMFSIUKN-UHFFFAOYSA-N
MW218.71 g/mol
LogP2.18
Rot. Bonds4

About 4-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine

4-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine (PubChem CID 63731659) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 4-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine
PubChem CID63731659
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name4-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine
SMILESCOCCSc1ncnc(Cl)c1C
InChIInChI=1S/C8H11ClN2OS/c1-6-7(9)10-5-11-8(6)13-4-3-12-2/h5H,3-4H2,1-2H3
InChIKeyGHZNXLBMFSIUKN-UHFFFAOYSA-N
XLogP2.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 52.18
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-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine (CID 63731659) is 4-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine is COCCSc1ncnc(Cl)c1C.
What is the InChIKey of 4-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine?
The InChIKey is GHZNXLBMFSIUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-6-7(9)10-5-11-8(6)13-4-3-12-2/h5H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine?
4-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine has a molecular weight of 218.71 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methoxyethylsulfanyl)-5-methylpyrimidine is sourced from PubChem (CID 63731659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).