methyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate

C15H23N5O5 — CID 30737346

IUPACmethyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C15H23N5O5/c1-17-13(16)12(14(23)18(2)15(17)24)10(21)8-19-4-6-20(7-5-19)9-11(22)25-3/h4-9,16H2,1-3H3
InChIKeyGVUHOXBABCWZIV-UHFFFAOYSA-N
MW353.38 g/mol
LogP-2.36
Rot. Bonds5

About methyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate

methyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate (PubChem CID 30737346) has the molecular formula C15H23N5O5 and a molecular weight of 353.38 g/mol. Its IUPAC name is methyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate
PubChem CID30737346
Molecular FormulaC15H23N5O5
Molecular Weight353.38 g/mol
Exact Mass353.17
IUPAC Namemethyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C15H23N5O5/c1-17-13(16)12(14(23)18(2)15(17)24)10(21)8-19-4-6-20(7-5-19)9-11(22)25-3/h4-9,16H2,1-3H3
InChIKeyGVUHOXBABCWZIV-UHFFFAOYSA-N
XLogP-2.36
TPSA119.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 5-2.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate with MolForge

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Related Compounds

6-Amino-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42927005
6-Amino-5-[2-(morpholin-4-yl)-2-oxoacetyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 129753535
6-Amino-1,3-dimethyl-5-[(2-morpholin-4-yl)-2-oxoacetyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 129753675
6-Amino-1,3-dimethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione
CID 4360558
6-Amino-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-1-propylpyrimidine-2,4-dione
CID 4849753
6-Amino-5-(2-morpholin-4-ylacetyl)-1-propylpyrimidine-2,4-dione
CID 4851826
6-Amino-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16554569
6-Amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 25479392
6-amino-5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2681681
6-amino-5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2681682
6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2681684
6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2681685

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate (CID 30737346) is methyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of methyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate?
The InChIKey is GVUHOXBABCWZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O5/c1-17-13(16)12(14(23)18(2)15(17)24)10(21)8-19-4-6-20(7-5-19)9-11(22)25-3/h4-9,16H2,1-3H3.
What are the key properties of methyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate?
methyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate has a molecular weight of 353.38 g/mol, XLogP of -2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate is sourced from PubChem (CID 30737346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).