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

C20H20N6 — CID 6539365

IUPACN-(4-butan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCCC(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1
InChIInChI=1S/C20H20N6/c1-3-14(2)15-6-8-16(9-7-15)24-20-21-12-10-18(25-20)17-13-23-26-19(17)5-4-11-22-26/h4-14H,3H2,1-2H3,(H,21,24,25)
InChIKeyYRGZDNHXSLVEOX-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.44
Rot. Bonds5

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

N-(4-butan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 6539365) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID6539365
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC NameN-(4-butan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCCC(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1
InChIInChI=1S/C20H20N6/c1-3-14(2)15-6-8-16(9-7-15)24-20-21-12-10-18(25-20)17-13-23-26-19(17)5-4-11-22-26/h4-14H,3H2,1-2H3,(H,21,24,25)
InChIKeyYRGZDNHXSLVEOX-UHFFFAOYSA-N
XLogP4.44
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 6539365) is N-(4-butan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is CCC(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is YRGZDNHXSLVEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-3-14(2)15-6-8-16(9-7-15)24-20-21-12-10-18(25-20)17-13-23-26-19(17)5-4-11-22-26/h4-14H,3H2,1-2H3,(H,21,24,25).
What are the key properties of N-(4-butan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-(4-butan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 344.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 6539365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).