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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Related Compounds

5-fluoro-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 91769836
5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 50965748
4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 103542049
N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50950437
N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide
CID 143431084
5-fluoro-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 97203053
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 50962093
5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80766519
5-fluoro-N-[(E)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 17354247
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
2,6-dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 3456586
5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine
CID 50951243

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).