8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone

C18H22N6O2 — CID 139580419

IUPAC8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cnccn2)nc1)C1NCCC12CCOCC2
InChIInChI=1S/C18H22N6O2/c25-15(16-18(1-4-21-16)2-7-26-8-3-18)13-9-22-17(23-10-13)24-12-14-11-19-5-6-20-14/h5-6,9-11,16,21H,1-4,7-8,12H2,(H,22,23,24)
InChIKeyGBSBQPUEIVWANW-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.22
Rot. Bonds5

About 8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone

8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone (PubChem CID 139580419) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
PubChem CID139580419
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cnccn2)nc1)C1NCCC12CCOCC2
InChIInChI=1S/C18H22N6O2/c25-15(16-18(1-4-21-16)2-7-26-8-3-18)13-9-22-17(23-10-13)24-12-14-11-19-5-6-20-14/h5-6,9-11,16,21H,1-4,7-8,12H2,(H,22,23,24)
InChIKeyGBSBQPUEIVWANW-UHFFFAOYSA-N
XLogP1.22
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of 8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone (CID 139580419) is 8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for 8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone is O=C(c1cnc(NCc2cnccn2)nc1)C1NCCC12CCOCC2.
What is the InChIKey of 8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone?
The InChIKey is GBSBQPUEIVWANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c25-15(16-18(1-4-21-16)2-7-26-8-3-18)13-9-22-17(23-10-13)24-12-14-11-19-5-6-20-14/h5-6,9-11,16,21H,1-4,7-8,12H2,(H,22,23,24).
What are the key properties of 8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone?
8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone has a molecular weight of 354.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 139580419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).