5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine

C18H20N6O — CID 91087280

IUPAC5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine
SMILESCOCCN(C)c1ccc(Nc2cncc(-c3ccccn3)n2)nc1
InChIInChI=1S/C18H20N6O/c1-24(9-10-25-2)14-6-7-17(21-11-14)23-18-13-19-12-16(22-18)15-5-3-4-8-20-15/h3-8,11-13H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyHWUMGKUHVKDMQD-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.76
Rot. Bonds7

About 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine

5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine (PubChem CID 91087280) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine
PubChem CID91087280
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine
SMILESCOCCN(C)c1ccc(Nc2cncc(-c3ccccn3)n2)nc1
InChIInChI=1S/C18H20N6O/c1-24(9-10-25-2)14-6-7-17(21-11-14)23-18-13-19-12-16(22-18)15-5-3-4-8-20-15/h3-8,11-13H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyHWUMGKUHVKDMQD-UHFFFAOYSA-N
XLogP2.76
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine (CID 91087280) is 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine is COCCN(C)c1ccc(Nc2cncc(-c3ccccn3)n2)nc1.
What is the InChIKey of 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine?
The InChIKey is HWUMGKUHVKDMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-24(9-10-25-2)14-6-7-17(21-11-14)23-18-13-19-12-16(22-18)15-5-3-4-8-20-15/h3-8,11-13H,9-10H2,1-2H3,(H,21,22,23).
What are the key properties of 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine?
5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine has a molecular weight of 336.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(6-pyridin-2-ylpyrazin-2-yl)pyridine-2,5-diamine is sourced from PubChem (CID 91087280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).