8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

C17H22N4O2 — CID 118743778

IUPAC8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESc1cnc(NC2COC3(CCN(Cc4ccoc4)CC3)C2)nc1
InChIInChI=1S/C17H22N4O2/c1-5-18-16(19-6-1)20-15-10-17(23-13-15)3-7-21(8-4-17)11-14-2-9-22-12-14/h1-2,5-6,9,12,15H,3-4,7-8,10-11,13H2,(H,18,19,20)
InChIKeyARTQYLXAAIWYFO-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.31
Rot. Bonds4

About 8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118743778) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118743778
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESc1cnc(NC2COC3(CCN(Cc4ccoc4)CC3)C2)nc1
InChIInChI=1S/C17H22N4O2/c1-5-18-16(19-6-1)20-15-10-17(23-13-15)3-7-21(8-4-17)11-14-2-9-22-12-14/h1-2,5-6,9,12,15H,3-4,7-8,10-11,13H2,(H,18,19,20)
InChIKeyARTQYLXAAIWYFO-UHFFFAOYSA-N
XLogP2.31
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118743778) is 8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is c1cnc(NC2COC3(CCN(Cc4ccoc4)CC3)C2)nc1.
What is the InChIKey of 8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is ARTQYLXAAIWYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-5-18-16(19-6-1)20-15-10-17(23-13-15)3-7-21(8-4-17)11-14-2-9-22-12-14/h1-2,5-6,9,12,15H,3-4,7-8,10-11,13H2,(H,18,19,20).
What are the key properties of 8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 314.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118743778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).