(5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

C17H25FN4O3 — CID 97128622

IUPAC(5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESO[C@H]1CCCOC12CCN(c1ncc(F)c(N3CCOCC3)n1)CC2
InChIInChI=1S/C17H25FN4O3/c18-13-12-19-16(20-15(13)21-7-10-24-11-8-21)22-5-3-17(4-6-22)14(23)2-1-9-25-17/h12,14,23H,1-11H2/t14-/m0/s1
InChIKeyYRRZLLVTLGQGDI-AWEZNQCLSA-N
MW352.41 g/mol
LogP0.96
Rot. Bonds2

About (5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

(5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 97128622) has the molecular formula C17H25FN4O3 and a molecular weight of 352.41 g/mol. Its IUPAC name is (5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name(5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID97128622
Molecular FormulaC17H25FN4O3
Molecular Weight352.41 g/mol
Exact Mass352.19
IUPAC Name(5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESO[C@H]1CCCOC12CCN(c1ncc(F)c(N3CCOCC3)n1)CC2
InChIInChI=1S/C17H25FN4O3/c18-13-12-19-16(20-15(13)21-7-10-24-11-8-21)22-5-3-17(4-6-22)14(23)2-1-9-25-17/h12,14,23H,1-11H2/t14-/m0/s1
InChIKeyYRRZLLVTLGQGDI-AWEZNQCLSA-N
XLogP0.96
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol with MolForge

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Launch Full Analysis

Related Compounds

9-Pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72904527
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010
(3-Endo)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 50951084
(3R*,4R*)-1-[5-fluoro-4-(methylamino)-2-pyrimidinyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72838588
[4-[[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]methyl]oxan-4-yl]methanol
CID 50981741
(3R*,4R*)-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-4-(hydroxymethyl)-3-piperidinol
CID 56894609
(3R*,4R*)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol
CID 70781277
{(3S*,5R*)-5-[(dimethylamino)methyl]-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-3-piperidinyl}methanol
CID 72849221
8-[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]-1-oxa-8-azaspiro[4.5]decan-3-OL
CID 72864148
9-[5-Fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72881088
9-[5-Fluoro-4-(methylamino)-2-pyrimidinyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72886412
9-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72920902

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of (5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 97128622) is (5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for (5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for (5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is O[C@H]1CCCOC12CCN(c1ncc(F)c(N3CCOCC3)n1)CC2.
What is the InChIKey of (5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is YRRZLLVTLGQGDI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25FN4O3/c18-13-12-19-16(20-15(13)21-7-10-24-11-8-21)22-5-3-17(4-6-22)14(23)2-1-9-25-17/h12,14,23H,1-11H2/t14-/m0/s1.
What are the key properties of (5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
(5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 352.41 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 97128622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).