6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine

C17H21N7O — CID 163348421

IUPAC6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine
SMILESCOc1ccnc(N2CCN(c3ccc4nc(C)c(C)n4n3)CC2)n1
InChIInChI=1S/C17H21N7O/c1-12-13(2)24-14(19-12)4-5-15(21-24)22-8-10-23(11-9-22)17-18-7-6-16(20-17)25-3/h4-7H,8-11H2,1-3H3
InChIKeyHCCLWXJCUANGCY-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.47
Rot. Bonds3

About 6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine

6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine (PubChem CID 163348421) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine
PubChem CID163348421
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine
SMILESCOc1ccnc(N2CCN(c3ccc4nc(C)c(C)n4n3)CC2)n1
InChIInChI=1S/C17H21N7O/c1-12-13(2)24-14(19-12)4-5-15(21-24)22-8-10-23(11-9-22)17-18-7-6-16(20-17)25-3/h4-7H,8-11H2,1-3H3
InChIKeyHCCLWXJCUANGCY-UHFFFAOYSA-N
XLogP1.47
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133314057
2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 155974879
4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 154575579
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 146078262
4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154575576
4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
CID 154582519
2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
CID 163350559
6-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 163348814
2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine
CID 122139046
2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-4-methoxypyrimidine
CID 171911279
6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 146079208
2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine
CID 24737031

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine (CID 163348421) is 6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine is COc1ccnc(N2CCN(c3ccc4nc(C)c(C)n4n3)CC2)n1.
What is the InChIKey of 6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine?
The InChIKey is HCCLWXJCUANGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-12-13(2)24-14(19-12)4-5-15(21-24)22-8-10-23(11-9-22)17-18-7-6-16(20-17)25-3/h4-7H,8-11H2,1-3H3.
What are the key properties of 6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine?
6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine has a molecular weight of 339.40 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 163348421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).