4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine

C18H32N2O3 — CID 67871492

IUPAC4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine
SMILESCOCCOC(C)Oc1c(C(C)(C)C)nc(C)nc1C(C)(C)C
InChIInChI=1S/C18H32N2O3/c1-12-19-15(17(3,4)5)14(16(20-12)18(6,7)8)23-13(2)22-11-10-21-9/h13H,10-11H2,1-9H3
InChIKeyABWDJKKDZMWZIA-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.77
Rot. Bonds6

About 4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine

4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine (PubChem CID 67871492) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine.

Molecular Properties

Compound Name4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine
PubChem CID67871492
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine
SMILESCOCCOC(C)Oc1c(C(C)(C)C)nc(C)nc1C(C)(C)C
InChIInChI=1S/C18H32N2O3/c1-12-19-15(17(3,4)5)14(16(20-12)18(6,7)8)23-13(2)22-11-10-21-9/h13H,10-11H2,1-9H3
InChIKeyABWDJKKDZMWZIA-UHFFFAOYSA-N
XLogP3.77
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine?
The IUPAC name of 4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine (CID 67871492) is 4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine.
What is the SMILES notation for 4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine?
The canonical SMILES for 4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine is COCCOC(C)Oc1c(C(C)(C)C)nc(C)nc1C(C)(C)C.
What is the InChIKey of 4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine?
The InChIKey is ABWDJKKDZMWZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-12-19-15(17(3,4)5)14(16(20-12)18(6,7)8)23-13(2)22-11-10-21-9/h13H,10-11H2,1-9H3.
What are the key properties of 4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine?
4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine has a molecular weight of 324.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-5-[1-(2-methoxyethoxy)ethoxy]-2-methylpyrimidine is sourced from PubChem (CID 67871492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).