2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol

C15H23FN4O4 — CID 91797935

IUPAC2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol
SMILESOCCO[C@H]1CCOC[C@H]1Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H23FN4O4/c16-11-9-17-15(19-14(11)20-2-6-22-7-3-20)18-12-10-23-5-1-13(12)24-8-4-21/h9,12-13,21H,1-8,10H2,(H,17,18,19)/t12-,13+/m1/s1
InChIKeyFYRVHGCJBFJMLJ-OLZOCXBDSA-N
MW342.37 g/mol
LogP0.03
Rot. Bonds6

About 2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol

2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol (PubChem CID 91797935) has the molecular formula C15H23FN4O4 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol
PubChem CID91797935
Molecular FormulaC15H23FN4O4
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC Name2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol
SMILESOCCO[C@H]1CCOC[C@H]1Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H23FN4O4/c16-11-9-17-15(19-14(11)20-2-6-22-7-3-20)18-12-10-23-5-1-13(12)24-8-4-21/h9,12-13,21H,1-8,10H2,(H,17,18,19)/t12-,13+/m1/s1
InChIKeyFYRVHGCJBFJMLJ-OLZOCXBDSA-N
XLogP0.03
TPSA88.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol?
The IUPAC name of 2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol (CID 91797935) is 2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol.
What is the SMILES notation for 2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol?
The canonical SMILES for 2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol is OCCO[C@H]1CCOC[C@H]1Nc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol?
The InChIKey is FYRVHGCJBFJMLJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23FN4O4/c16-11-9-17-15(19-14(11)20-2-6-22-7-3-20)18-12-10-23-5-1-13(12)24-8-4-21/h9,12-13,21H,1-8,10H2,(H,17,18,19)/t12-,13+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol?
2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol has a molecular weight of 342.37 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]oxan-4-yl]oxyethanol is sourced from PubChem (CID 91797935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).