4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine

C13H19FN4O — CID 126856400

IUPAC4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine
SMILESFc1cnc(N2CCC(CN3CCOCC3)C2)nc1
InChIInChI=1S/C13H19FN4O/c14-12-7-15-13(16-8-12)18-2-1-11(10-18)9-17-3-5-19-6-4-17/h7-8,11H,1-6,9-10H2
InChIKeyQYCJHTSXCIGQSA-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.77
Rot. Bonds3

About 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine

4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine (PubChem CID 126856400) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine
PubChem CID126856400
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine
SMILESFc1cnc(N2CCC(CN3CCOCC3)C2)nc1
InChIInChI=1S/C13H19FN4O/c14-12-7-15-13(16-8-12)18-2-1-11(10-18)9-17-3-5-19-6-4-17/h7-8,11H,1-6,9-10H2
InChIKeyQYCJHTSXCIGQSA-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine with MolForge

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Related Compounds

2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802329
4-[[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine
CID 99714284
4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine
CID 99789373
2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431381
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673
4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 75422646
4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 97318478
(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 124890056
5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine
CID 125135597
5-fluoro-2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine
CID 125135600
(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 134700702
[4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]methanol
CID 115750247

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine (CID 126856400) is 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine is Fc1cnc(N2CCC(CN3CCOCC3)C2)nc1.
What is the InChIKey of 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine?
The InChIKey is QYCJHTSXCIGQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c14-12-7-15-13(16-8-12)18-2-1-11(10-18)9-17-3-5-19-6-4-17/h7-8,11H,1-6,9-10H2.
What are the key properties of 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine?
4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine has a molecular weight of 266.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine is sourced from PubChem (CID 126856400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).