2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine

C18H19N7 — CID 118278081

IUPAC2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(CCc3nc(-c4ncccn4)cn3C)nn2c1C
InChIInChI=1S/C18H19N7/c1-12-13(2)25-17(21-12)8-6-14(23-25)5-7-16-22-15(11-24(16)3)18-19-9-4-10-20-18/h4,6,8-11H,5,7H2,1-3H3
InChIKeyCDAFIDKAPLRNPC-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.32
Rot. Bonds4

About 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine

2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine (PubChem CID 118278081) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
PubChem CID118278081
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(CCc3nc(-c4ncccn4)cn3C)nn2c1C
InChIInChI=1S/C18H19N7/c1-12-13(2)25-17(21-12)8-6-14(23-25)5-7-16-22-15(11-24(16)3)18-19-9-4-10-20-18/h4,6,8-11H,5,7H2,1-3H3
InChIKeyCDAFIDKAPLRNPC-UHFFFAOYSA-N
XLogP2.32
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine (CID 118278081) is 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine is Cc1nc2ccc(CCc3nc(-c4ncccn4)cn3C)nn2c1C.
What is the InChIKey of 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The InChIKey is CDAFIDKAPLRNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-12-13(2)25-17(21-12)8-6-14(23-25)5-7-16-22-15(11-24(16)3)18-19-9-4-10-20-18/h4,6,8-11H,5,7H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine has a molecular weight of 333.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118278081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).