2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine

C20H27N7 — CID 163350565

IUPAC2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
SMILESCc1cnc(N2CCCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)nc1
InChIInChI=1S/C20H27N7/c1-15-12-21-19(22-13-15)26-9-5-8-25(10-11-26)18-7-6-17-23-16(20(2,3)4)14-27(17)24-18/h6-7,12-14H,5,8-11H2,1-4H3
InChIKeyOZDJIHNUHJWAEM-UHFFFAOYSA-N
MW365.49 g/mol
LogP2.84
Rot. Bonds2

About 2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine

2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 163350565) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is 2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
PubChem CID163350565
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC Name2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
SMILESCc1cnc(N2CCCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)nc1
InChIInChI=1S/C20H27N7/c1-15-12-21-19(22-13-15)26-9-5-8-25(10-11-26)18-7-6-17-23-16(20(2,3)4)14-27(17)24-18/h6-7,12-14H,5,8-11H2,1-4H3
InChIKeyOZDJIHNUHJWAEM-UHFFFAOYSA-N
XLogP2.84
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine (CID 163350565) is 2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine is Cc1cnc(N2CCCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)nc1.
What is the InChIKey of 2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is OZDJIHNUHJWAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7/c1-15-12-21-19(22-13-15)26-9-5-8-25(10-11-26)18-7-6-17-23-16(20(2,3)4)14-27(17)24-18/h6-7,12-14H,5,8-11H2,1-4H3.
What are the key properties of 2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine?
2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 365.49 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 163350565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).