2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide

C13H16N4O4 — CID 121119337

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCc1cc(=O)n(CCNC(=O)CN2C(=O)CCC2=O)cn1
InChIInChI=1S/C13H16N4O4/c1-9-6-13(21)16(8-15-9)5-4-14-10(18)7-17-11(19)2-3-12(17)20/h6,8H,2-5,7H2,1H3,(H,14,18)
InChIKeyANSFKQWRQWWXJQ-UHFFFAOYSA-N
MW292.29 g/mol
LogP-1.18
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 121119337) has the molecular formula C13H16N4O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
PubChem CID121119337
Molecular FormulaC13H16N4O4
Molecular Weight292.29 g/mol
Exact Mass292.12
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCc1cc(=O)n(CCNC(=O)CN2C(=O)CCC2=O)cn1
InChIInChI=1S/C13H16N4O4/c1-9-6-13(21)16(8-15-9)5-4-14-10(18)7-17-11(19)2-3-12(17)20/h6,8H,2-5,7H2,1H3,(H,14,18)
InChIKeyANSFKQWRQWWXJQ-UHFFFAOYSA-N
XLogP-1.18
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide (CID 121119337) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide is Cc1cc(=O)n(CCNC(=O)CN2C(=O)CCC2=O)cn1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The InChIKey is ANSFKQWRQWWXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-9-6-13(21)16(8-15-9)5-4-14-10(18)7-17-11(19)2-3-12(17)20/h6,8H,2-5,7H2,1H3,(H,14,18).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 292.29 g/mol, XLogP of -1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121119337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).