9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

C17H26FN5O2 — CID 138382783

IUPAC9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCOC2(CCN(c3ncc(F)c(N4CCOCC4)n3)CC2)C1
InChIInChI=1S/C17H26FN5O2/c1-21-6-11-25-17(13-21)2-4-23(5-3-17)16-19-12-14(18)15(20-16)22-7-9-24-10-8-22/h12H,2-11,13H2,1H3
InChIKeyMSMZLKIRAYBAPJ-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.75
Rot. Bonds2

About 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 138382783) has the molecular formula C17H26FN5O2 and a molecular weight of 351.43 g/mol. Its IUPAC name is 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID138382783
Molecular FormulaC17H26FN5O2
Molecular Weight351.43 g/mol
Exact Mass351.21
IUPAC Name9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCOC2(CCN(c3ncc(F)c(N4CCOCC4)n3)CC2)C1
InChIInChI=1S/C17H26FN5O2/c1-21-6-11-25-17(13-21)2-4-23(5-3-17)16-19-12-14(18)15(20-16)22-7-9-24-10-8-22/h12H,2-11,13H2,1H3
InChIKeyMSMZLKIRAYBAPJ-UHFFFAOYSA-N
XLogP0.75
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 164689559
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 138808960
9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382150
(3R)-3-ethyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97120952
(3aR,7aR)-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137336353
(3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 133129772
1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565774
1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 50962192
9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 166686001
9-methyl-4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138378631
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 164640878

Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 138382783) is 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is CN1CCOC2(CCN(c3ncc(F)c(N4CCOCC4)n3)CC2)C1.
What is the InChIKey of 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is MSMZLKIRAYBAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN5O2/c1-21-6-11-25-17(13-21)2-4-23(5-3-17)16-19-12-14(18)15(20-16)22-7-9-24-10-8-22/h12H,2-11,13H2,1H3.
What are the key properties of 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 351.43 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 138382783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).