4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine

C16H12N6 — CID 6539042

IUPAC4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1
InChIInChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-13(21-16)14-11-18-15-7-4-9-19-22(14)15/h1-11H,(H,17,20,21)
InChIKeyDLRPDZROQWJZEB-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.93
Rot. Bonds3

About 4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine

4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine (PubChem CID 6539042) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine
PubChem CID6539042
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1
InChIInChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-13(21-16)14-11-18-15-7-4-9-19-22(14)15/h1-11H,(H,17,20,21)
InChIKeyDLRPDZROQWJZEB-UHFFFAOYSA-N
XLogP2.93
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine (CID 6539042) is 4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine is c1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1.
What is the InChIKey of 4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine?
The InChIKey is DLRPDZROQWJZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-13(21-16)14-11-18-15-7-4-9-19-22(14)15/h1-11H,(H,17,20,21).
What are the key properties of 4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine?
4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,2-b]pyridazin-3-yl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 6539042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).