[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

C15H22N4O4 — CID 43063520

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCC1CN(C(=O)COC(=O)CN(C)c2ncccn2)CC(C)O1
InChIInChI=1S/C15H22N4O4/c1-11-7-19(8-12(2)23-11)13(20)10-22-14(21)9-18(3)15-16-5-4-6-17-15/h4-6,11-12H,7-10H2,1-3H3
InChIKeyBUHTZXJSOTUKBK-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.09
Rot. Bonds5

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 43063520) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID43063520
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCC1CN(C(=O)COC(=O)CN(C)c2ncccn2)CC(C)O1
InChIInChI=1S/C15H22N4O4/c1-11-7-19(8-12(2)23-11)13(20)10-22-14(21)9-18(3)15-16-5-4-6-17-15/h4-6,11-12H,7-10H2,1-3H3
InChIKeyBUHTZXJSOTUKBK-UHFFFAOYSA-N
XLogP0.09
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 43067977
bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 42988833
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 41182884
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 5224731
1-(2,6-dimethylmorpholin-4-yl)-2-pyridin-3-yloxyethanone
CID 110487906
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 51723611
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 24982761
[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 55640703
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2346476
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
CID 94164222
2-(2-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 16772853
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36701987

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 43063520) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is CC1CN(C(=O)COC(=O)CN(C)c2ncccn2)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is BUHTZXJSOTUKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-11-7-19(8-12(2)23-11)13(20)10-22-14(21)9-18(3)15-16-5-4-6-17-15/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 322.37 g/mol, XLogP of 0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 43063520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).