8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

C14H22N4O — CID 118739784

IUPAC8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCCN1CCC2(CC1)CC(Nc1ncccn1)CO2
InChIInChI=1S/C14H22N4O/c1-2-18-8-4-14(5-9-18)10-12(11-19-14)17-13-15-6-3-7-16-13/h3,6-7,12H,2,4-5,8-11H2,1H3,(H,15,16,17)
InChIKeyODNFAHLZISDPQK-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.53
Rot. Bonds3

About 8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118739784) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118739784
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCCN1CCC2(CC1)CC(Nc1ncccn1)CO2
InChIInChI=1S/C14H22N4O/c1-2-18-8-4-14(5-9-18)10-12(11-19-14)17-13-15-6-3-7-16-13/h3,6-7,12H,2,4-5,8-11H2,1H3,(H,15,16,17)
InChIKeyODNFAHLZISDPQK-UHFFFAOYSA-N
XLogP1.53
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118739784) is 8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is CCN1CCC2(CC1)CC(Nc1ncccn1)CO2.
What is the InChIKey of 8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is ODNFAHLZISDPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-18-8-4-14(5-9-18)10-12(11-19-14)17-13-15-6-3-7-16-13/h3,6-7,12H,2,4-5,8-11H2,1H3,(H,15,16,17).
What are the key properties of 8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 262.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118739784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).