5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione

C16H18N4O6 — CID 3323412

IUPAC5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCCCn2cc(C(C)=O)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C16H18N4O6/c1-9(21)11-7-19(15(25)17-13(11)23)5-3-4-6-20-8-12(10(2)22)14(24)18-16(20)26/h7-8H,3-6H2,1-2H3,(H,17,23,25)(H,18,24,26)
InChIKeyUOVIRDVAPOGEGR-UHFFFAOYSA-N
MW362.34 g/mol
LogP-0.73
Rot. Bonds7

About 5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione

5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione (PubChem CID 3323412) has the molecular formula C16H18N4O6 and a molecular weight of 362.34 g/mol. Its IUPAC name is 5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione
PubChem CID3323412
Molecular FormulaC16H18N4O6
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC Name5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCCCn2cc(C(C)=O)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C16H18N4O6/c1-9(21)11-7-19(15(25)17-13(11)23)5-3-4-6-20-8-12(10(2)22)14(24)18-16(20)26/h7-8H,3-6H2,1-2H3,(H,17,23,25)(H,18,24,26)
InChIKeyUOVIRDVAPOGEGR-UHFFFAOYSA-N
XLogP-0.73
TPSA143.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione (CID 3323412) is 5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione is CC(=O)c1cn(CCCCn2cc(C(C)=O)c(=O)[nH]c2=O)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione?
The InChIKey is UOVIRDVAPOGEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O6/c1-9(21)11-7-19(15(25)17-13(11)23)5-3-4-6-20-8-12(10(2)22)14(24)18-16(20)26/h7-8H,3-6H2,1-2H3,(H,17,23,25)(H,18,24,26).
What are the key properties of 5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione?
5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione has a molecular weight of 362.34 g/mol, XLogP of -0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-[4-(5-acetyl-2,4-dioxopyrimidin-1-yl)butyl]pyrimidine-2,4-dione is sourced from PubChem (CID 3323412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).