N-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

C20H20N6 — CID 6539366

IUPACN-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCC(C)(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1
InChIInChI=1S/C20H20N6/c1-20(2,3)14-6-8-15(9-7-14)24-19-21-12-10-17(25-19)16-13-23-26-18(16)5-4-11-22-26/h4-13H,1-3H3,(H,21,24,25)
InChIKeyZNTCURDIWRJLBI-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.23
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

N-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 6539366) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID6539366
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC NameN-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCC(C)(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1
InChIInChI=1S/C20H20N6/c1-20(2,3)14-6-8-15(9-7-14)24-19-21-12-10-17(25-19)16-13-23-26-18(16)5-4-11-22-26/h4-13H,1-3H3,(H,21,24,25)
InChIKeyZNTCURDIWRJLBI-UHFFFAOYSA-N
XLogP4.23
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 6539366) is N-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is CC(C)(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is ZNTCURDIWRJLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-20(2,3)14-6-8-15(9-7-14)24-19-21-12-10-17(25-19)16-13-23-26-18(16)5-4-11-22-26/h4-13H,1-3H3,(H,21,24,25).
What are the key properties of N-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 344.42 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 6539366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).