5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine

C12H15BrN2O3 — CID 59541162

IUPAC5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine
SMILESBrc1cnc(OC2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C12H15BrN2O3/c13-9-7-14-11(15-8-9)18-10-1-3-12(4-2-10)16-5-6-17-12/h7-8,10H,1-6H2
InChIKeyGALCUOOAPXHAEP-UHFFFAOYSA-N
MW315.17 g/mol
LogP2.30
Rot. Bonds2

About 5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine

5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine (PubChem CID 59541162) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine
PubChem CID59541162
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine
SMILESBrc1cnc(OC2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C12H15BrN2O3/c13-9-7-14-11(15-8-9)18-10-1-3-12(4-2-10)16-5-6-17-12/h7-8,10H,1-6H2
InChIKeyGALCUOOAPXHAEP-UHFFFAOYSA-N
XLogP2.30
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine?
The IUPAC name of 5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine (CID 59541162) is 5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine?
The canonical SMILES for 5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine is Brc1cnc(OC2CCC3(CC2)OCCO3)nc1.
What is the InChIKey of 5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine?
The InChIKey is GALCUOOAPXHAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c13-9-7-14-11(15-8-9)18-10-1-3-12(4-2-10)16-5-6-17-12/h7-8,10H,1-6H2.
What are the key properties of 5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine?
5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine has a molecular weight of 315.17 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine is sourced from PubChem (CID 59541162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).