4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

C21H24N6OS — CID 163350730

IUPAC4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCC(C)(C)c1cn2nc(OCC3CCN(c4ncnc5sccc45)C3)ccc2n1
InChIInChI=1S/C21H24N6OS/c1-21(2,3)16-11-27-17(24-16)4-5-18(25-27)28-12-14-6-8-26(10-14)19-15-7-9-29-20(15)23-13-22-19/h4-5,7,9,11,13-14H,6,8,10,12H2,1-3H3
InChIKeyWMHDFZVUVHJVGS-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.94
Rot. Bonds4

About 4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 163350730) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID163350730
Molecular FormulaC21H24N6OS
Molecular Weight408.53 g/mol
Exact Mass408.17
IUPAC Name4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCC(C)(C)c1cn2nc(OCC3CCN(c4ncnc5sccc45)C3)ccc2n1
InChIInChI=1S/C21H24N6OS/c1-21(2,3)16-11-27-17(24-16)4-5-18(25-27)28-12-14-6-8-26(10-14)19-15-7-9-29-20(15)23-13-22-19/h4-5,7,9,11,13-14H,6,8,10,12H2,1-3H3
InChIKeyWMHDFZVUVHJVGS-UHFFFAOYSA-N
XLogP3.94
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (CID 163350730) is 4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is CC(C)(C)c1cn2nc(OCC3CCN(c4ncnc5sccc45)C3)ccc2n1.
What is the InChIKey of 4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is WMHDFZVUVHJVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-21(2,3)16-11-27-17(24-16)4-5-18(25-27)28-12-14-6-8-26(10-14)19-15-7-9-29-20(15)23-13-22-19/h4-5,7,9,11,13-14H,6,8,10,12H2,1-3H3.
What are the key properties of 4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 408.53 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 163350730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).