N-(3-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine

C18H16N6O2 — CID 6539384

IUPACN-(3-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)c1
InChIInChI=1S/C18H16N6O2/c1-25-13-5-3-4-12(10-13)21-18-19-9-8-15(22-18)14-11-20-24-16(14)6-7-17(23-24)26-2/h3-11H,1-2H3,(H,19,21,22)
InChIKeyPFAAZWLEKZPBLT-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.95
Rot. Bonds5

About N-(3-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine

N-(3-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (PubChem CID 6539384) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
PubChem CID6539384
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-(3-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)c1
InChIInChI=1S/C18H16N6O2/c1-25-13-5-3-4-12(10-13)21-18-19-9-8-15(22-18)14-11-20-24-16(14)6-7-17(23-24)26-2/h3-11H,1-2H3,(H,19,21,22)
InChIKeyPFAAZWLEKZPBLT-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-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (CID 6539384) is N-(3-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is COc1cccc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The InChIKey is PFAAZWLEKZPBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-25-13-5-3-4-12(10-13)21-18-19-9-8-15(22-18)14-11-20-24-16(14)6-7-17(23-24)26-2/h3-11H,1-2H3,(H,19,21,22).
What are the key properties of N-(3-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
N-(3-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-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-methoxyphenyl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 6539384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).