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

C18H16N6 — CID 6539379

IUPACN-(3,5-dimethylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3cnn4ncccc34)n2)c1
InChIInChI=1S/C18H16N6/c1-12-8-13(2)10-14(9-12)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)
InChIKeyWKITVSVNTNNVLF-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.55
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 6539379) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID6539379
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC NameN-(3,5-dimethylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3cnn4ncccc34)n2)c1
InChIInChI=1S/C18H16N6/c1-12-8-13(2)10-14(9-12)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)
InChIKeyWKITVSVNTNNVLF-UHFFFAOYSA-N
XLogP3.55
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 6539379) is N-(3,5-dimethylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3cnn4ncccc34)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is WKITVSVNTNNVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-12-8-13(2)10-14(9-12)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23).
What are the key properties of N-(3,5-dimethylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 316.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 6539379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).