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

C17H25FN4O2 — CID 72920902

IUPAC9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESOC1CCCOC12CCN(c1ncc(F)c(N3CCCC3)n1)CC2
InChIInChI=1S/C17H25FN4O2/c18-13-12-19-16(20-15(13)21-7-1-2-8-21)22-9-5-17(6-10-22)14(23)4-3-11-24-17/h12,14,23H,1-11H2
InChIKeyKEPRAAUNNYBSGC-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.73
Rot. Bonds2

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

9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 72920902) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID72920902
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC Name9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESOC1CCCOC12CCN(c1ncc(F)c(N3CCCC3)n1)CC2
InChIInChI=1S/C17H25FN4O2/c18-13-12-19-16(20-15(13)21-7-1-2-8-21)22-9-5-17(6-10-22)14(23)4-3-11-24-17/h12,14,23H,1-11H2
InChIKeyKEPRAAUNNYBSGC-UHFFFAOYSA-N
XLogP1.73
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-Pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72904527
[1-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72916904
(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
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
3-[(3R*,4S*)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-morpholin-4-ylpiperidin-3-yl]propan-1-ol
CID 72907730
(3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 97120609
(3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 97120610
(5R)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97128621
(5S)-9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97128622

Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 72920902) is 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is OC1CCCOC12CCN(c1ncc(F)c(N3CCCC3)n1)CC2.
What is the InChIKey of 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is KEPRAAUNNYBSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O2/c18-13-12-19-16(20-15(13)21-7-1-2-8-21)22-9-5-17(6-10-22)14(23)4-3-11-24-17/h12,14,23H,1-11H2.
What are the key properties of 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 336.41 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 72920902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).