furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C17H20N4O3 — CID 97371695

IUPACfuran-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESO=C(c1ccco1)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1
InChIInChI=1S/C17H20N4O3/c22-15(14-4-1-9-23-14)21-8-2-5-17(12-21)10-13(11-24-17)20-16-18-6-3-7-19-16/h1,3-4,6-7,9,13H,2,5,8,10-12H2,(H,18,19,20)/t13-,17-/m1/s1
InChIKeyJGDGSLFXPAJSNU-CXAGYDPISA-N
MW328.37 g/mol
LogP1.95
Rot. Bonds3

About furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97371695) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97371695
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Namefuran-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESO=C(c1ccco1)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1
InChIInChI=1S/C17H20N4O3/c22-15(14-4-1-9-23-14)21-8-2-5-17(12-21)10-13(11-24-17)20-16-18-6-3-7-19-16/h1,3-4,6-7,9,13H,2,5,8,10-12H2,(H,18,19,20)/t13-,17-/m1/s1
InChIKeyJGDGSLFXPAJSNU-CXAGYDPISA-N
XLogP1.95
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,5R)-3-(pyrimidin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 97371127
(2-methylfuran-3-yl)-[(3R,5S)-3-(pyrimidin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97486314
(2-methylfuran-3-yl)-[(3S,5S)-3-(pyrimidin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97486309
[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97489467
furan-2-yl-[4-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155853393
N,N-dimethyl-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid
CID 155840866
[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone
CID 97371841
(2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131663568
(3S,5S)-9-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371677
[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone
CID 134074870
(5-methylpyrazin-2-yl)-[(3R,5R)-3-(pyridin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97489283
[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 131646415

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97371695) is furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is O=C(c1ccco1)N1CCC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1.
What is the InChIKey of furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is JGDGSLFXPAJSNU-CXAGYDPISA-N. The full InChI is InChI=1S/C17H20N4O3/c22-15(14-4-1-9-23-14)21-8-2-5-17(12-21)10-13(11-24-17)20-16-18-6-3-7-19-16/h1,3-4,6-7,9,13H,2,5,8,10-12H2,(H,18,19,20)/t13-,17-/m1/s1.
What are the key properties of furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97371695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).