8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane

C19H24N4O2 — CID 131642153

IUPAC8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
SMILESc1cnc(N2CC3(CC(CCOCc4ccncc4)CCO3)C2)nc1
InChIInChI=1S/C19H24N4O2/c1-6-21-18(22-7-1)23-14-19(15-23)12-16(5-11-25-19)4-10-24-13-17-2-8-20-9-3-17/h1-3,6-9,16H,4-5,10-15H2
InChIKeyPBAJBNTYPDMCGH-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.46
Rot. Bonds6

About 8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane

8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 131642153) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
PubChem CID131642153
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
SMILESc1cnc(N2CC3(CC(CCOCc4ccncc4)CCO3)C2)nc1
InChIInChI=1S/C19H24N4O2/c1-6-21-18(22-7-1)23-14-19(15-23)12-16(5-11-25-19)4-10-24-13-17-2-8-20-9-3-17/h1-3,6-9,16H,4-5,10-15H2
InChIKeyPBAJBNTYPDMCGH-UHFFFAOYSA-N
XLogP2.46
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.46
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-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 131639064
(8R)-2-pyrimidin-2-yl-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124909678
8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 133140989
8-[2-(pyridin-2-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155840559
4-[2-(pyridin-4-ylmethoxy)ethyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 133141462
(8R)-8-(cyclopropylmethoxy)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124804313
8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(pyridin-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155845908
(8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124835395
cyclopent-3-en-1-yl-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124787528
8-(2-methoxyethyl)-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 131651440
(8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124795166
(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124797928

Frequently Asked Questions

What is the IUPAC name of 8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane (CID 131642153) is 8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane is c1cnc(N2CC3(CC(CCOCc4ccncc4)CCO3)C2)nc1.
What is the InChIKey of 8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is PBAJBNTYPDMCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-6-21-18(22-7-1)23-14-19(15-23)12-16(5-11-25-19)4-10-24-13-17-2-8-20-9-3-17/h1-3,6-9,16H,4-5,10-15H2.
What are the key properties of 8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 340.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(pyridin-4-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 131642153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).