4-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine

C18H18N4O4 — CID 2913631

IUPAC4-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine
SMILESCOc1cc(C)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1
InChIInChI=1S/C18H18N4O4/c1-13-12-17(23-2)20-18(19-13)26-16-9-8-15(21-22-16)25-11-10-24-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyLIKBPXJZEVOIRJ-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.83
Rot. Bonds8

About 4-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine

4-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine (PubChem CID 2913631) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name4-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine
PubChem CID2913631
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name4-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine
SMILESCOc1cc(C)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1
InChIInChI=1S/C18H18N4O4/c1-13-12-17(23-2)20-18(19-13)26-16-9-8-15(21-22-16)25-11-10-24-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyLIKBPXJZEVOIRJ-UHFFFAOYSA-N
XLogP2.83
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine?
The IUPAC name of 4-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine (CID 2913631) is 4-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine.
What is the SMILES notation for 4-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine?
The canonical SMILES for 4-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine is COc1cc(C)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1.
What is the InChIKey of 4-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine?
The InChIKey is LIKBPXJZEVOIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-13-12-17(23-2)20-18(19-13)26-16-9-8-15(21-22-16)25-11-10-24-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 4-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine?
4-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine has a molecular weight of 354.37 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine is sourced from PubChem (CID 2913631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).