6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine

C16H20N8 — CID 91125366

IUPAC6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine
SMILESNC1CCC(Nc2cc(Nc3ncccn3)c3nccn3n2)CC1
InChIInChI=1S/C16H20N8/c17-11-2-4-12(5-3-11)21-14-10-13(15-18-8-9-24(15)23-14)22-16-19-6-1-7-20-16/h1,6-12H,2-5,17H2,(H,21,23)(H,19,20,22)
InChIKeyHWOPEKBHKXEAQT-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.94
Rot. Bonds4

About 6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine

6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine (PubChem CID 91125366) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine.

Molecular Properties

Compound Name6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine
PubChem CID91125366
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine
SMILESNC1CCC(Nc2cc(Nc3ncccn3)c3nccn3n2)CC1
InChIInChI=1S/C16H20N8/c17-11-2-4-12(5-3-11)21-14-10-13(15-18-8-9-24(15)23-14)22-16-19-6-1-7-20-16/h1,6-12H,2-5,17H2,(H,21,23)(H,19,20,22)
InChIKeyHWOPEKBHKXEAQT-UHFFFAOYSA-N
XLogP1.94
TPSA106.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine?
The IUPAC name of 6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine (CID 91125366) is 6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine.
What is the SMILES notation for 6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine?
The canonical SMILES for 6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine is NC1CCC(Nc2cc(Nc3ncccn3)c3nccn3n2)CC1.
What is the InChIKey of 6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine?
The InChIKey is HWOPEKBHKXEAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c17-11-2-4-12(5-3-11)21-14-10-13(15-18-8-9-24(15)23-14)22-16-19-6-1-7-20-16/h1,6-12H,2-5,17H2,(H,21,23)(H,19,20,22).
What are the key properties of 6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine?
6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine has a molecular weight of 324.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine is sourced from PubChem (CID 91125366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).