2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine

C18H19N7 — CID 118288254

IUPAC2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(CCc3nc(-c4cncnc4)cn3C)nn2c1C
InChIInChI=1S/C18H19N7/c1-12-13(2)25-18(21-12)7-5-15(23-25)4-6-17-22-16(10-24(17)3)14-8-19-11-20-9-14/h5,7-11H,4,6H2,1-3H3
InChIKeyDCYNRXVSROHOIU-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.32
Rot. Bonds4

About 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine

2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine (PubChem CID 118288254) 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-5-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
PubChem CID118288254
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(CCc3nc(-c4cncnc4)cn3C)nn2c1C
InChIInChI=1S/C18H19N7/c1-12-13(2)25-18(21-12)7-5-15(23-25)4-6-17-22-16(10-24(17)3)14-8-19-11-20-9-14/h5,7-11H,4,6H2,1-3H3
InChIKeyDCYNRXVSROHOIU-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-5-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine (CID 118288254) is 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine is Cc1nc2ccc(CCc3nc(-c4cncnc4)cn3C)nn2c1C.
What is the InChIKey of 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
The InChIKey is DCYNRXVSROHOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-12-13(2)25-18(21-12)7-5-15(23-25)4-6-17-22-16(10-24(17)3)14-8-19-11-20-9-14/h5,7-11H,4,6H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-5-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine?
2,3-dimethyl-6-[2-(1-methyl-4-pyrimidin-5-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-5-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118288254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).