7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane

C10H12BrN3O — CID 138050031

IUPAC7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane
SMILESBrc1cnc(N2CCC3(CCO3)C2)nc1
InChIInChI=1S/C10H12BrN3O/c11-8-5-12-9(13-6-8)14-3-1-10(7-14)2-4-15-10/h5-6H,1-4,7H2
InChIKeyDPVIGNQGYBCOSS-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.61
Rot. Bonds1

About 7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane

7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane (PubChem CID 138050031) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane
PubChem CID138050031
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane
SMILESBrc1cnc(N2CCC3(CCO3)C2)nc1
InChIInChI=1S/C10H12BrN3O/c11-8-5-12-9(13-6-8)14-3-1-10(7-14)2-4-15-10/h5-6H,1-4,7H2
InChIKeyDPVIGNQGYBCOSS-UHFFFAOYSA-N
XLogP1.61
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane
CID 131000915
6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane
CID 130685819
9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382150
1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321701
4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372287
(6R)-4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396480
9-(5-fluoropyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450776
9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450937
4-(5-bromopyrimidin-2-yl)-7,7-dimethyl-1,4-thiazepane
CID 107269428
cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97451000
1-[4-(5-chloropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-pyrrolidin-1-ylethanone
CID 131951201
[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(furan-3-yl)methanone
CID 97451019

Frequently Asked Questions

What is the IUPAC name of 7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane (CID 138050031) is 7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane is Brc1cnc(N2CCC3(CCO3)C2)nc1.
What is the InChIKey of 7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane?
The InChIKey is DPVIGNQGYBCOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c11-8-5-12-9(13-6-8)14-3-1-10(7-14)2-4-15-10/h5-6H,1-4,7H2.
What are the key properties of 7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane?
7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane has a molecular weight of 270.13 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 138050031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).