4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one

C11H15N3O3 — CID 136958047

IUPAC4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC3(C2)OCCO3)nc[nH]1
InChIInChI=1S/C11H15N3O3/c15-10-6-9(12-8-13-10)14-3-1-2-11(7-14)16-4-5-17-11/h6,8H,1-5,7H2,(H,12,13,15)
InChIKeyTYZRNIXVOMQCED-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.11
Rot. Bonds1

About 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one

4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one (PubChem CID 136958047) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
PubChem CID136958047
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC3(C2)OCCO3)nc[nH]1
InChIInChI=1S/C11H15N3O3/c15-10-6-9(12-8-13-10)14-3-1-2-11(7-14)16-4-5-17-11/h6,8H,1-5,7H2,(H,12,13,15)
InChIKeyTYZRNIXVOMQCED-UHFFFAOYSA-N
XLogP0.11
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702384
4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957714
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 136958019
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958045
5-bromo-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
CID 136958046
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973333
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973334
5-chloro-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
CID 136973335
2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
CID 136973336
4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 137015621
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-5-iodo-1H-pyrimidin-6-one
CID 137015693
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-5-methoxy-1H-pyrimidin-6-one
CID 137016045

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one (CID 136958047) is 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one is O=c1cc(N2CCCC3(C2)OCCO3)nc[nH]1.
What is the InChIKey of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one?
The InChIKey is TYZRNIXVOMQCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10-6-9(12-8-13-10)14-3-1-2-11(7-14)16-4-5-17-11/h6,8H,1-5,7H2,(H,12,13,15).
What are the key properties of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one?
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one has a molecular weight of 237.26 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136958047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).