4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane

C20H26N4O2 — CID 133141462

IUPAC4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CC2)OCCC3CCOCc2ccncc2)nc1
InChIInChI=1S/C20H26N4O2/c1-8-22-19(23-9-1)24-12-6-20(7-13-24)18(5-15-26-20)4-14-25-16-17-2-10-21-11-3-17/h1-3,8-11,18H,4-7,12-16H2
InChIKeyPNZFTXSJTIBIGM-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.85
Rot. Bonds6

About 4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane

4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 133141462) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID133141462
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CC2)OCCC3CCOCc2ccncc2)nc1
InChIInChI=1S/C20H26N4O2/c1-8-22-19(23-9-1)24-12-6-20(7-13-24)18(5-15-26-20)4-14-25-16-17-2-10-21-11-3-17/h1-3,8-11,18H,4-7,12-16H2
InChIKeyPNZFTXSJTIBIGM-UHFFFAOYSA-N
XLogP2.85
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-methylsulfonyl-4-[2-(pyridin-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 133137089
cyclopropyl-[(4S)-4-[2-(pyridin-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124790316
cyclobutyl-[(4R)-4-[2-(pyridin-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124803779
8-(cyclopropylmethyl)-4-[2-(pyridin-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155859513
(4S)-8-methyl-4-[2-(pyridin-3-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 124813519
8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 131642153
(4R)-8-methyl-4-[2-(pyridin-3-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 124813520
1,2-oxazol-4-yl-[(4R)-4-[2-(pyridin-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124790945
4-(2-ethoxyethyl)-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 133141822
(8S)-8-[2-(pyridin-4-ylmethoxy)ethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124790929
(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124805764
8-[2-(pyridin-4-ylmethoxy)ethyl]-2-(pyridin-4-ylmethyl)-5-oxa-2-azaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155831403

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane (CID 133141462) is 4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane is c1cnc(N2CCC3(CC2)OCCC3CCOCc2ccncc2)nc1.
What is the InChIKey of 4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is PNZFTXSJTIBIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-8-22-19(23-9-1)24-12-6-20(7-13-24)18(5-15-26-20)4-14-25-16-17-2-10-21-11-3-17/h1-3,8-11,18H,4-7,12-16H2.
What are the key properties of 4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane?
4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 354.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 133141462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).