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

C18H16N6O2 — CID 6539367

IUPACN-(3,4-dimethoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1OC
InChIInChI=1S/C18H16N6O2/c1-25-16-6-5-12(10-17(16)26-2)22-18-19-9-7-14(23-18)13-11-21-24-15(13)4-3-8-20-24/h3-11H,1-2H3,(H,19,22,23)
InChIKeyAGAYQQLAAVQQLA-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.95
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 6539367) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID6539367
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-(3,4-dimethoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1OC
InChIInChI=1S/C18H16N6O2/c1-25-16-6-5-12(10-17(16)26-2)22-18-19-9-7-14(23-18)13-11-21-24-15(13)4-3-8-20-24/h3-11H,1-2H3,(H,19,22,23)
InChIKeyAGAYQQLAAVQQLA-UHFFFAOYSA-N
XLogP2.95
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 6539367) is N-(3,4-dimethoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is COc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is AGAYQQLAAVQQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-25-16-6-5-12(10-17(16)26-2)22-18-19-9-7-14(23-18)13-11-21-24-15(13)4-3-8-20-24/h3-11H,1-2H3,(H,19,22,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-(3,4-dimethoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 348.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 6539367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).