1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane

C12H16BrN3O — CID 86769788

IUPAC1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane
SMILESBrc1cnc(N2CCCC23CCOCC3)nc1
InChIInChI=1S/C12H16BrN3O/c13-10-8-14-11(15-9-10)16-5-1-2-12(16)3-6-17-7-4-12/h8-9H,1-7H2
InChIKeyNRNFHNRMDYJFTF-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.39
Rot. Bonds1

About 1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane

1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane (PubChem CID 86769788) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane
PubChem CID86769788
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane
SMILESBrc1cnc(N2CCCC23CCOCC3)nc1
InChIInChI=1S/C12H16BrN3O/c13-10-8-14-11(15-9-10)16-5-1-2-12(16)3-6-17-7-4-12/h8-9H,1-7H2
InChIKeyNRNFHNRMDYJFTF-UHFFFAOYSA-N
XLogP2.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane (CID 86769788) is 1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane is Brc1cnc(N2CCCC23CCOCC3)nc1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane?
The InChIKey is NRNFHNRMDYJFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-10-8-14-11(15-9-10)16-5-1-2-12(16)3-6-17-7-4-12/h8-9H,1-7H2.
What are the key properties of 1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane?
1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane has a molecular weight of 298.18 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-8-oxa-1-azaspiro[4.5]decane is sourced from PubChem (CID 86769788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).