4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one

C12H17N3O3 — CID 102930619

IUPAC4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OC2COC3(CCNCC3)C2)nc[nH]1
InChIInChI=1S/C12H17N3O3/c16-10-5-11(15-8-14-10)18-9-6-12(17-7-9)1-3-13-4-2-12/h5,8-9,13H,1-4,6-7H2,(H,14,15,16)
InChIKeyDFDAQBRBTFBPPH-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.06
Rot. Bonds2

About 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one

4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one (PubChem CID 102930619) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
PubChem CID102930619
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OC2COC3(CCNCC3)C2)nc[nH]1
InChIInChI=1S/C12H17N3O3/c16-10-5-11(15-8-14-10)18-9-6-12(17-7-9)1-3-13-4-2-12/h5,8-9,13H,1-4,6-7H2,(H,14,15,16)
InChIKeyDFDAQBRBTFBPPH-UHFFFAOYSA-N
XLogP0.06
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one (CID 102930619) is 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one is O=c1cc(OC2COC3(CCNCC3)C2)nc[nH]1.
What is the InChIKey of 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
The InChIKey is DFDAQBRBTFBPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-10-5-11(15-8-14-10)18-9-6-12(17-7-9)1-3-13-4-2-12/h5,8-9,13H,1-4,6-7H2,(H,14,15,16).
What are the key properties of 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one has a molecular weight of 251.29 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 102930619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).