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

C19H20N4O4 — CID 5389355

IUPAC4-methoxy-6-methyl-2-[6-[2-(4-methylphenoxy)ethoxy]pyridazin-3-yl]oxypyrimidine
SMILESCOc1cc(C)nc(Oc2ccc(OCCOc3ccc(C)cc3)nn2)n1
InChIInChI=1S/C19H20N4O4/c1-13-4-6-15(7-5-13)25-10-11-26-16-8-9-17(23-22-16)27-19-20-14(2)12-18(21-19)24-3/h4-9,12H,10-11H2,1-3H3
InChIKeyOKKNCDJFLIHGGX-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.14
Rot. Bonds8

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

4-methoxy-6-methyl-2-[6-[2-(4-methylphenoxy)ethoxy]pyridazin-3-yl]oxypyrimidine (PubChem CID 5389355) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-methoxy-6-methyl-2-[6-[2-(4-methylphenoxy)ethoxy]pyridazin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name4-methoxy-6-methyl-2-[6-[2-(4-methylphenoxy)ethoxy]pyridazin-3-yl]oxypyrimidine
PubChem CID5389355
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name4-methoxy-6-methyl-2-[6-[2-(4-methylphenoxy)ethoxy]pyridazin-3-yl]oxypyrimidine
SMILESCOc1cc(C)nc(Oc2ccc(OCCOc3ccc(C)cc3)nn2)n1
InChIInChI=1S/C19H20N4O4/c1-13-4-6-15(7-5-13)25-10-11-26-16-8-9-17(23-22-16)27-19-20-14(2)12-18(21-19)24-3/h4-9,12H,10-11H2,1-3H3
InChIKeyOKKNCDJFLIHGGX-UHFFFAOYSA-N
XLogP3.14
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.14
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-(4-methylphenoxy)ethoxy]pyridazin-3-yl]oxypyrimidine?
The IUPAC name of 4-methoxy-6-methyl-2-[6-[2-(4-methylphenoxy)ethoxy]pyridazin-3-yl]oxypyrimidine (CID 5389355) is 4-methoxy-6-methyl-2-[6-[2-(4-methylphenoxy)ethoxy]pyridazin-3-yl]oxypyrimidine.
What is the SMILES notation for 4-methoxy-6-methyl-2-[6-[2-(4-methylphenoxy)ethoxy]pyridazin-3-yl]oxypyrimidine?
The canonical SMILES for 4-methoxy-6-methyl-2-[6-[2-(4-methylphenoxy)ethoxy]pyridazin-3-yl]oxypyrimidine is COc1cc(C)nc(Oc2ccc(OCCOc3ccc(C)cc3)nn2)n1.
What is the InChIKey of 4-methoxy-6-methyl-2-[6-[2-(4-methylphenoxy)ethoxy]pyridazin-3-yl]oxypyrimidine?
The InChIKey is OKKNCDJFLIHGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-13-4-6-15(7-5-13)25-10-11-26-16-8-9-17(23-22-16)27-19-20-14(2)12-18(21-19)24-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 4-methoxy-6-methyl-2-[6-[2-(4-methylphenoxy)ethoxy]pyridazin-3-yl]oxypyrimidine?
4-methoxy-6-methyl-2-[6-[2-(4-methylphenoxy)ethoxy]pyridazin-3-yl]oxypyrimidine has a molecular weight of 368.39 g/mol, XLogP of 3.14, 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-(4-methylphenoxy)ethoxy]pyridazin-3-yl]oxypyrimidine is sourced from PubChem (CID 5389355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).