5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one

C20H12F3N3O2 — CID 163422751

IUPAC5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one
SMILESCc1ccc(Oc2ccc3c(-c4c(F)cccc4F)c(=O)ncn3n2)c(F)c1
InChIInChI=1S/C20H12F3N3O2/c1-11-5-7-16(14(23)9-11)28-17-8-6-15-19(20(27)24-10-26(15)25-17)18-12(21)3-2-4-13(18)22/h2-10H,1H3
InChIKeyZTLNETGQZGVYPQ-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.27
Rot. Bonds3

About 5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one

5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one (PubChem CID 163422751) has the molecular formula C20H12F3N3O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one
PubChem CID163422751
Molecular FormulaC20H12F3N3O2
Molecular Weight383.33 g/mol
Exact Mass383.09
IUPAC Name5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one
SMILESCc1ccc(Oc2ccc3c(-c4c(F)cccc4F)c(=O)ncn3n2)c(F)c1
InChIInChI=1S/C20H12F3N3O2/c1-11-5-7-16(14(23)9-11)28-17-8-6-15-19(20(27)24-10-26(15)25-17)18-12(21)3-2-4-13(18)22/h2-10H,1H3
InChIKeyZTLNETGQZGVYPQ-UHFFFAOYSA-N
XLogP4.27
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one?
The IUPAC name of 5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one (CID 163422751) is 5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one.
What is the SMILES notation for 5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one?
The canonical SMILES for 5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one is Cc1ccc(Oc2ccc3c(-c4c(F)cccc4F)c(=O)ncn3n2)c(F)c1.
What is the InChIKey of 5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one?
The InChIKey is ZTLNETGQZGVYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2/c1-11-5-7-16(14(23)9-11)28-17-8-6-15-19(20(27)24-10-26(15)25-17)18-12(21)3-2-4-13(18)22/h2-10H,1H3.
What are the key properties of 5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one?
5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one has a molecular weight of 383.33 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-2-(2-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one is sourced from PubChem (CID 163422751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).