2-(chloromethyl)-4-ethyl-6-methoxypyrimidine

C8H11ClN2O — CID 13153412

IUPAC2-(chloromethyl)-4-ethyl-6-methoxypyrimidine
SMILESCCc1cc(OC)nc(CCl)n1
InChIInChI=1S/C8H11ClN2O/c1-3-6-4-8(12-2)11-7(5-9)10-6/h4H,3,5H2,1-2H3
InChIKeyFOKCMSOWTSCJSY-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.79
Rot. Bonds3

About 2-(chloromethyl)-4-ethyl-6-methoxypyrimidine

2-(chloromethyl)-4-ethyl-6-methoxypyrimidine (PubChem CID 13153412) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-(chloromethyl)-4-ethyl-6-methoxypyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-4-ethyl-6-methoxypyrimidine
PubChem CID13153412
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-(chloromethyl)-4-ethyl-6-methoxypyrimidine
SMILESCCc1cc(OC)nc(CCl)n1
InChIInChI=1S/C8H11ClN2O/c1-3-6-4-8(12-2)11-7(5-9)10-6/h4H,3,5H2,1-2H3
InChIKeyFOKCMSOWTSCJSY-UHFFFAOYSA-N
XLogP1.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-ethyl-6-methoxypyrimidine?
The IUPAC name of 2-(chloromethyl)-4-ethyl-6-methoxypyrimidine (CID 13153412) is 2-(chloromethyl)-4-ethyl-6-methoxypyrimidine.
What is the SMILES notation for 2-(chloromethyl)-4-ethyl-6-methoxypyrimidine?
The canonical SMILES for 2-(chloromethyl)-4-ethyl-6-methoxypyrimidine is CCc1cc(OC)nc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4-ethyl-6-methoxypyrimidine?
The InChIKey is FOKCMSOWTSCJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-3-6-4-8(12-2)11-7(5-9)10-6/h4H,3,5H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-ethyl-6-methoxypyrimidine?
2-(chloromethyl)-4-ethyl-6-methoxypyrimidine has a molecular weight of 186.64 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-ethyl-6-methoxypyrimidine is sourced from PubChem (CID 13153412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).