(1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C15H21FN4O2 — CID 50951084

IUPAC(1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)N2c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H21FN4O2/c16-13-9-17-15(18-14(13)19-3-5-22-6-4-19)20-10-1-2-11(20)8-12(21)7-10/h9-12,21H,1-8H2/t10-,11+,12?
InChIKeyINOHMIHEZPPEQT-FOSCPWQOSA-N
MW308.36 g/mol
LogP0.94
Rot. Bonds2

About (1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

(1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 50951084) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is (1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID50951084
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name(1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)N2c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H21FN4O2/c16-13-9-17-15(18-14(13)19-3-5-22-6-4-19)20-10-1-2-11(20)8-12(21)7-10/h9-12,21H,1-8H2/t10-,11+,12?
InChIKeyINOHMIHEZPPEQT-FOSCPWQOSA-N
XLogP0.94
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 50951084) is (1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1C[C@H]2CC[C@@H](C1)N2c1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of (1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is INOHMIHEZPPEQT-FOSCPWQOSA-N. The full InChI is InChI=1S/C15H21FN4O2/c16-13-9-17-15(18-14(13)19-3-5-22-6-4-19)20-10-1-2-11(20)8-12(21)7-10/h9-12,21H,1-8H2/t10-,11+,12?.
What are the key properties of (1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 308.36 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 50951084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).