methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate

C13H18N4O4 — CID 104774871

IUPACmethyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)CN(C)c1ncccn1
InChIInChI=1S/C13H18N4O4/c1-16(13-14-4-3-5-15-13)8-11(18)17-6-7-21-9-10(17)12(19)20-2/h3-5,10H,6-9H2,1-2H3
InChIKeyHFFIEAOKKIAKMY-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.69
Rot. Bonds4

About methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate

methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate (PubChem CID 104774871) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate
PubChem CID104774871
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Namemethyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)CN(C)c1ncccn1
InChIInChI=1S/C13H18N4O4/c1-16(13-14-4-3-5-15-13)8-11(18)17-6-7-21-9-10(17)12(19)20-2/h3-5,10H,6-9H2,1-2H3
InChIKeyHFFIEAOKKIAKMY-UHFFFAOYSA-N
XLogP-0.69
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate
CID 113251792
methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate
CID 115669932
methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate
CID 104775330
methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate
CID 104774429
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
CID 113451757
methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121
methyl 4-[2-(3-nitropyrazol-1-yl)acetyl]morpholine-3-carboxylate
CID 115670046
methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate
CID 115670262
methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate
CID 115869308
methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate
CID 115670168

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate (CID 104774871) is methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)CN(C)c1ncccn1.
What is the InChIKey of methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate?
The InChIKey is HFFIEAOKKIAKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-16(13-14-4-3-5-15-13)8-11(18)17-6-7-21-9-10(17)12(19)20-2/h3-5,10H,6-9H2,1-2H3.
What are the key properties of methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate?
methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate has a molecular weight of 294.31 g/mol, XLogP of -0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate is sourced from PubChem (CID 104774871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).