8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane

C21H32N4O2 — CID 167743997

IUPAC8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
SMILESCc1nc(N2CCC3(CCCO3)CC2)cc(N2CCC3(CCCO3)CC2)n1
InChIInChI=1S/C21H32N4O2/c1-17-22-18(24-10-6-20(7-11-24)4-2-14-26-20)16-19(23-17)25-12-8-21(9-13-25)5-3-15-27-21/h16H,2-15H2,1H3
InChIKeyYIZVEIWQBIYUSK-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.08
Rot. Bonds2

About 8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane

8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 167743997) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID167743997
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
SMILESCc1nc(N2CCC3(CCCO3)CC2)cc(N2CCC3(CCCO3)CC2)n1
InChIInChI=1S/C21H32N4O2/c1-17-22-18(24-10-6-20(7-11-24)4-2-14-26-20)16-19(23-17)25-12-8-21(9-13-25)5-3-15-27-21/h16H,2-15H2,1H3
InChIKeyYIZVEIWQBIYUSK-UHFFFAOYSA-N
XLogP3.08
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane (CID 167743997) is 8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane is Cc1nc(N2CCC3(CCCO3)CC2)cc(N2CCC3(CCCO3)CC2)n1.
What is the InChIKey of 8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is YIZVEIWQBIYUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-17-22-18(24-10-6-20(7-11-24)4-2-14-26-20)16-19(23-17)25-12-8-21(9-13-25)5-3-15-27-21/h16H,2-15H2,1H3.
What are the key properties of 8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane?
8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 372.51 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 167743997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).