N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C24H30N6 — CID 141392358

IUPACN-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCN(c1ccc(-c2ccc(-c3cncnc3)cc2)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H30N6/c1-23(2)12-20(13-24(3,4)29-23)30(5)22-11-10-21(27-28-22)18-8-6-17(7-9-18)19-14-25-16-26-15-19/h6-11,14-16,20,29H,12-13H2,1-5H3
InChIKeyGRIPYBXHFUJCCV-UHFFFAOYSA-N
MW402.55 g/mol
LogP4.35
Rot. Bonds4

About N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 141392358) has the molecular formula C24H30N6 and a molecular weight of 402.55 g/mol. Its IUPAC name is N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID141392358
Molecular FormulaC24H30N6
Molecular Weight402.55 g/mol
Exact Mass402.25
IUPAC NameN-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCN(c1ccc(-c2ccc(-c3cncnc3)cc2)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H30N6/c1-23(2)12-20(13-24(3,4)29-23)30(5)22-11-10-21(27-28-22)18-8-6-17(7-9-18)19-14-25-16-26-15-19/h6-11,14-16,20,29H,12-13H2,1-5H3
InChIKeyGRIPYBXHFUJCCV-UHFFFAOYSA-N
XLogP4.35
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 141392358) is N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is CN(c1ccc(-c2ccc(-c3cncnc3)cc2)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is GRIPYBXHFUJCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6/c1-23(2)12-20(13-24(3,4)29-23)30(5)22-11-10-21(27-28-22)18-8-6-17(7-9-18)19-14-25-16-26-15-19/h6-11,14-16,20,29H,12-13H2,1-5H3.
What are the key properties of N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 402.55 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-pyrimidin-5-ylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 141392358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).