5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine

C13H19FN4O3 — CID 134696082

IUPAC5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCO[C@H]1COC[C@@H]1Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C13H19FN4O3/c1-19-11-8-21-7-10(11)16-13-15-6-9(14)12(17-13)18-2-4-20-5-3-18/h6,10-11H,2-5,7-8H2,1H3,(H,15,16,17)/t10-,11-/m0/s1
InChIKeyHLLGDUNVAPPPFA-QWRGUYRKSA-N
MW298.32 g/mol
LogP0.28
Rot. Bonds4

About 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine

5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 134696082) has the molecular formula C13H19FN4O3 and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID134696082
Molecular FormulaC13H19FN4O3
Molecular Weight298.32 g/mol
Exact Mass298.14
IUPAC Name5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCO[C@H]1COC[C@@H]1Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C13H19FN4O3/c1-19-11-8-21-7-10(11)16-13-15-6-9(14)12(17-13)18-2-4-20-5-3-18/h6,10-11H,2-5,7-8H2,1H3,(H,15,16,17)/t10-,11-/m0/s1
InChIKeyHLLGDUNVAPPPFA-QWRGUYRKSA-N
XLogP0.28
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine (CID 134696082) is 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine is CO[C@H]1COC[C@@H]1Nc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is HLLGDUNVAPPPFA-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19FN4O3/c1-19-11-8-21-7-10(11)16-13-15-6-9(14)12(17-13)18-2-4-20-5-3-18/h6,10-11H,2-5,7-8H2,1H3,(H,15,16,17)/t10-,11-/m0/s1.
What are the key properties of 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 298.32 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 134696082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).