6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine

C21H16N6 — CID 67967062

IUPAC6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine
SMILESNc1ncc2cc(Cc3cnc4ccc(-c5ccccc5)nn34)ccc2n1
InChIInChI=1S/C21H16N6/c22-21-24-12-16-10-14(6-7-18(16)25-21)11-17-13-23-20-9-8-19(26-27(17)20)15-4-2-1-3-5-15/h1-10,12-13H,11H2,(H2,22,24,25)
InChIKeyKDZHRZDLORGFRJ-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.51
Rot. Bonds3

About 6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine

6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine (PubChem CID 67967062) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is 6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine.

Molecular Properties

Compound Name6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine
PubChem CID67967062
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine
SMILESNc1ncc2cc(Cc3cnc4ccc(-c5ccccc5)nn34)ccc2n1
InChIInChI=1S/C21H16N6/c22-21-24-12-16-10-14(6-7-18(16)25-21)11-17-13-23-20-9-8-19(26-27(17)20)15-4-2-1-3-5-15/h1-10,12-13H,11H2,(H2,22,24,25)
InChIKeyKDZHRZDLORGFRJ-UHFFFAOYSA-N
XLogP3.51
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine?
The IUPAC name of 6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine (CID 67967062) is 6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine.
What is the SMILES notation for 6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine?
The canonical SMILES for 6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine is Nc1ncc2cc(Cc3cnc4ccc(-c5ccccc5)nn34)ccc2n1.
What is the InChIKey of 6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine?
The InChIKey is KDZHRZDLORGFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6/c22-21-24-12-16-10-14(6-7-18(16)25-21)11-17-13-23-20-9-8-19(26-27(17)20)15-4-2-1-3-5-15/h1-10,12-13H,11H2,(H2,22,24,25).
What are the key properties of 6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine?
6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine has a molecular weight of 352.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine is sourced from PubChem (CID 67967062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).