8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

C21H25N5O2 — CID 139580312

IUPAC8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3ccccn3)CC2)nc1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C21H25N5O2/c27-18(26-10-6-20(15-26)7-11-28-12-8-20)16-13-23-19(24-14-16)25-21(4-5-21)17-3-1-2-9-22-17/h1-3,9,13-14H,4-8,10-12,15H2,(H,23,24,25)
InChIKeyOANAGEMVLNPLQK-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.62
Rot. Bonds4

About 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (PubChem CID 139580312) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
PubChem CID139580312
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3ccccn3)CC2)nc1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C21H25N5O2/c27-18(26-10-6-20(15-26)7-11-28-12-8-20)16-13-23-19(24-14-16)25-21(4-5-21)17-3-1-2-9-22-17/h1-3,9,13-14H,4-8,10-12,15H2,(H,23,24,25)
InChIKeyOANAGEMVLNPLQK-UHFFFAOYSA-N
XLogP2.62
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (CID 139580312) is 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is O=C(c1cnc(NC2(c3ccccn3)CC2)nc1)N1CCC2(CCOCC2)C1.
What is the InChIKey of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The InChIKey is OANAGEMVLNPLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-18(26-10-6-20(15-26)7-11-28-12-8-20)16-13-23-19(24-14-16)25-21(4-5-21)17-3-1-2-9-22-17/h1-3,9,13-14H,4-8,10-12,15H2,(H,23,24,25).
What are the key properties of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyridin-2-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 139580312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).