methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate

C14H15N3O3 — CID 62939898

IUPACmethyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate
SMILESCOC(=O)C(Nc1nccn(C)c1=O)c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-17-9-8-15-12(13(17)18)16-11(14(19)20-2)10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,15,16)
InChIKeyXWGWPOBPIAKFOM-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.11
Rot. Bonds4

About methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate

methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate (PubChem CID 62939898) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate
PubChem CID62939898
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate
SMILESCOC(=O)C(Nc1nccn(C)c1=O)c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-17-9-8-15-12(13(17)18)16-11(14(19)20-2)10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,15,16)
InChIKeyXWGWPOBPIAKFOM-UHFFFAOYSA-N
XLogP1.11
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62939909
methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid
CID 62940771
methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
CID 102268915
methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate
CID 62785286
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one
CID 63260482
3-[(2-chloro-2-phenylethyl)amino]-1-methylpyrazin-2-one
CID 65027751
methyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate
CID 80798568
methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
methyl 2-[(4-aminopyrimidin-2-yl)amino]-2-phenylacetate
CID 116795818
(4-methyl-3-oxopyrazin-2-yl)urea
CID 130723706
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate (CID 62939898) is methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate is COC(=O)C(Nc1nccn(C)c1=O)c1ccccc1.
What is the InChIKey of methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate?
The InChIKey is XWGWPOBPIAKFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17-9-8-15-12(13(17)18)16-11(14(19)20-2)10-6-4-3-5-7-10/h3-9,11H,1-2H3,(H,15,16).
What are the key properties of methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate?
methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate has a molecular weight of 273.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate is sourced from PubChem (CID 62939898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).