2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C14H20N4O4 — CID 45280810

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1cn(CC(=O)NCCCN2CCCC2=O)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N4O4/c1-10-8-18(14(22)16-13(10)21)9-11(19)15-5-3-7-17-6-2-4-12(17)20/h8H,2-7,9H2,1H3,(H,15,19)(H,16,21,22)
InChIKeyOLPLDZXWACBVDH-UHFFFAOYSA-N
MW308.34 g/mol
LogP-1.03
Rot. Bonds6

About 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 45280810) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID45280810
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1cn(CC(=O)NCCCN2CCCC2=O)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N4O4/c1-10-8-18(14(22)16-13(10)21)9-11(19)15-5-3-7-17-6-2-4-12(17)20/h8H,2-7,9H2,1H3,(H,15,19)(H,16,21,22)
InChIKeyOLPLDZXWACBVDH-UHFFFAOYSA-N
XLogP-1.03
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 45280810) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is Cc1cn(CC(=O)NCCCN2CCCC2=O)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is OLPLDZXWACBVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-10-8-18(14(22)16-13(10)21)9-11(19)15-5-3-7-17-6-2-4-12(17)20/h8H,2-7,9H2,1H3,(H,15,19)(H,16,21,22).
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 308.34 g/mol, XLogP of -1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 45280810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).