3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine

C15H15N9 — CID 62706475

IUPAC3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
SMILESCNc1cc(-c2c(Nc3ccn[nH]3)nc3cccnn23)nc(C)n1
InChIInChI=1S/C15H15N9/c1-9-19-10(8-12(16-2)20-9)14-15(21-11-5-7-17-23-11)22-13-4-3-6-18-24(13)14/h3-8H,1-2H3,(H,16,19,20)(H2,17,21,23)
InChIKeyBMRLEHIKKZUCGW-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.00
Rot. Bonds4

About 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine

3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine (PubChem CID 62706475) has the molecular formula C15H15N9 and a molecular weight of 321.35 g/mol. Its IUPAC name is 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

Compound Name3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
PubChem CID62706475
Molecular FormulaC15H15N9
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
SMILESCNc1cc(-c2c(Nc3ccn[nH]3)nc3cccnn23)nc(C)n1
InChIInChI=1S/C15H15N9/c1-9-19-10(8-12(16-2)20-9)14-15(21-11-5-7-17-23-11)22-13-4-3-6-18-24(13)14/h3-8H,1-2H3,(H,16,19,20)(H2,17,21,23)
InChIKeyBMRLEHIKKZUCGW-UHFFFAOYSA-N
XLogP2.00
TPSA108.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
The IUPAC name of 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine (CID 62706475) is 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine.
What is the SMILES notation for 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
The canonical SMILES for 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine is CNc1cc(-c2c(Nc3ccn[nH]3)nc3cccnn23)nc(C)n1.
What is the InChIKey of 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
The InChIKey is BMRLEHIKKZUCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N9/c1-9-19-10(8-12(16-2)20-9)14-15(21-11-5-7-17-23-11)22-13-4-3-6-18-24(13)14/h3-8H,1-2H3,(H,16,19,20)(H2,17,21,23).
What are the key properties of 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine has a molecular weight of 321.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 62706475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).