9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane

C17H26N4O2 — CID 72838357

IUPAC9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
SMILESc1nc(N2CCOCC2)ncc1CN1CCCC2(CCOC2)C1
InChIInChI=1S/C17H26N4O2/c1-2-17(3-7-23-14-17)13-20(4-1)12-15-10-18-16(19-11-15)21-5-8-22-9-6-21/h10-11H,1-9,12-14H2
InChIKeyKNEYJHYPSUJDGJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.32
Rot. Bonds3

About 9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane

9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane (PubChem CID 72838357) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
PubChem CID72838357
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
SMILESc1nc(N2CCOCC2)ncc1CN1CCCC2(CCOC2)C1
InChIInChI=1S/C17H26N4O2/c1-2-17(3-7-23-14-17)13-20(4-1)12-15-10-18-16(19-11-15)21-5-8-22-9-6-21/h10-11H,1-9,12-14H2
InChIKeyKNEYJHYPSUJDGJ-UHFFFAOYSA-N
XLogP1.32
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
CID 97186800
9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
CID 72940573
(6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494863
2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131644251
(6S)-2-[(4-methoxyphenyl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494777
2-(pyridin-2-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131640300
7-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72895669
(6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494806
2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131651615
(6R)-11-ethyl-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372880
(6R)-11-(pyridin-2-ylmethyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494971
(6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494732

Frequently Asked Questions

What is the IUPAC name of 9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane (CID 72838357) is 9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane is c1nc(N2CCOCC2)ncc1CN1CCCC2(CCOC2)C1.
What is the InChIKey of 9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane?
The InChIKey is KNEYJHYPSUJDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-17(3-7-23-14-17)13-20(4-1)12-15-10-18-16(19-11-15)21-5-8-22-9-6-21/h10-11H,1-9,12-14H2.
What are the key properties of 9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane?
9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane has a molecular weight of 318.42 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 72838357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).