8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C14H17BrN4O2 — CID 23908255

IUPAC8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESBrc1c(CN2CCC3(CC2)OCCO3)nc2ncccn12
InChIInChI=1S/C14H17BrN4O2/c15-12-11(17-13-16-4-1-5-19(12)13)10-18-6-2-14(3-7-18)20-8-9-21-14/h1,4-5H,2-3,6-10H2
InChIKeyJUWKSFKKQXYZNQ-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.83
Rot. Bonds2

About 8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 23908255) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID23908255
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESBrc1c(CN2CCC3(CC2)OCCO3)nc2ncccn12
InChIInChI=1S/C14H17BrN4O2/c15-12-11(17-13-16-4-1-5-19(12)13)10-18-6-2-14(3-7-18)20-8-9-21-14/h1,4-5H,2-3,6-10H2
InChIKeyJUWKSFKKQXYZNQ-UHFFFAOYSA-N
XLogP1.83
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 23908255) is 8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is Brc1c(CN2CCC3(CC2)OCCO3)nc2ncccn12.
What is the InChIKey of 8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is JUWKSFKKQXYZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c15-12-11(17-13-16-4-1-5-19(12)13)10-18-6-2-14(3-7-18)20-8-9-21-14/h1,4-5H,2-3,6-10H2.
What are the key properties of 8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 353.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 23908255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).