5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one

C11H17N3O2 — CID 178122451

IUPAC5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one
SMILESC[C@@H]1CN(c2cc(=O)c(N)c[nH]2)C[C@H](C)O1
InChIInChI=1S/C11H17N3O2/c1-7-5-14(6-8(2)16-7)11-3-10(15)9(12)4-13-11/h3-4,7-8H,5-6,12H2,1-2H3,(H,13,15)/t7-,8+
InChIKeyFMCWSCKVFYBTID-OCAPTIKFSA-N
MW223.28 g/mol
LogP0.57
Rot. Bonds1

About 5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one

5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one (PubChem CID 178122451) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one
PubChem CID178122451
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one
SMILESC[C@@H]1CN(c2cc(=O)c(N)c[nH]2)C[C@H](C)O1
InChIInChI=1S/C11H17N3O2/c1-7-5-14(6-8(2)16-7)11-3-10(15)9(12)4-13-11/h3-4,7-8H,5-6,12H2,1-2H3,(H,13,15)/t7-,8+
InChIKeyFMCWSCKVFYBTID-OCAPTIKFSA-N
XLogP0.57
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[(2S)-2-methylmorpholin-4-yl]-1H-pyridin-4-one
CID 178121732
5-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione
CID 21178136
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline
CID 94894664
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridazin-6-one
CID 121205978
5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
CID 28820003
5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696163
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline
CID 79888974
2-(2,6-dimethylmorpholin-4-yl)-5-methylsulfonylaniline
CID 43447927
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyridin-4-amine
CID 104957780
4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline
CID 114088890
5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline
CID 66110674
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluoro-4-methylaniline
CID 104957721

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one?
The IUPAC name of 5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one (CID 178122451) is 5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one.
What is the SMILES notation for 5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one?
The canonical SMILES for 5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one is C[C@@H]1CN(c2cc(=O)c(N)c[nH]2)C[C@H](C)O1.
What is the InChIKey of 5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one?
The InChIKey is FMCWSCKVFYBTID-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-5-14(6-8(2)16-7)11-3-10(15)9(12)4-13-11/h3-4,7-8H,5-6,12H2,1-2H3,(H,13,15)/t7-,8+.
What are the key properties of 5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one?
5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one has a molecular weight of 223.28 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridin-4-one is sourced from PubChem (CID 178122451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).