8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone

C20H26N6O2 — CID 134177775

IUPAC8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone
SMILESCC(C)(Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cncnc1
InChIInChI=1S/C20H26N6O2/c1-19(2,16-11-21-14-22-12-16)25-18-23-9-15(10-24-18)17(27)26-6-3-20(13-26)4-7-28-8-5-20/h9-12,14H,3-8,13H2,1-2H3,(H,23,24,25)
InChIKeyAJNRTFNIQNDYTE-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.26
Rot. Bonds4

About 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone

8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone (PubChem CID 134177775) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone
PubChem CID134177775
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone
SMILESCC(C)(Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cncnc1
InChIInChI=1S/C20H26N6O2/c1-19(2,16-11-21-14-22-12-16)25-18-23-9-15(10-24-18)17(27)26-6-3-20(13-26)4-7-28-8-5-20/h9-12,14H,3-8,13H2,1-2H3,(H,23,24,25)
InChIKeyAJNRTFNIQNDYTE-UHFFFAOYSA-N
XLogP2.26
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone?
The IUPAC name of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone (CID 134177775) is 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone is CC(C)(Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cncnc1.
What is the InChIKey of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone?
The InChIKey is AJNRTFNIQNDYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-19(2,16-11-21-14-22-12-16)25-18-23-9-15(10-24-18)17(27)26-6-3-20(13-26)4-7-28-8-5-20/h9-12,14H,3-8,13H2,1-2H3,(H,23,24,25).
What are the key properties of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone?
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone has a molecular weight of 382.47 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(2-pyrimidin-5-ylpropan-2-ylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 134177775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).