5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione

C15H16N4O6 — CID 5079575

IUPAC5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCCn2cc(C(C)=O)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C15H16N4O6/c1-8(20)10-6-18(14(24)16-12(10)22)4-3-5-19-7-11(9(2)21)13(23)17-15(19)25/h6-7H,3-5H2,1-2H3,(H,16,22,24)(H,17,23,25)
InChIKeyCYDSBXWKMHYYRB-UHFFFAOYSA-N
MW348.32 g/mol
LogP-1.12
Rot. Bonds6

About 5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione

5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione (PubChem CID 5079575) has the molecular formula C15H16N4O6 and a molecular weight of 348.32 g/mol. Its IUPAC name is 5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione
PubChem CID5079575
Molecular FormulaC15H16N4O6
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCCn2cc(C(C)=O)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C15H16N4O6/c1-8(20)10-6-18(14(24)16-12(10)22)4-3-5-19-7-11(9(2)21)13(23)17-15(19)25/h6-7H,3-5H2,1-2H3,(H,16,22,24)(H,17,23,25)
InChIKeyCYDSBXWKMHYYRB-UHFFFAOYSA-N
XLogP-1.12
TPSA143.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione (CID 5079575) is 5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione is CC(=O)c1cn(CCCn2cc(C(C)=O)c(=O)[nH]c2=O)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
The InChIKey is CYDSBXWKMHYYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O6/c1-8(20)10-6-18(14(24)16-12(10)22)4-3-5-19-7-11(9(2)21)13(23)17-15(19)25/h6-7H,3-5H2,1-2H3,(H,16,22,24)(H,17,23,25).
What are the key properties of 5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione has a molecular weight of 348.32 g/mol, XLogP of -1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-[3-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 5079575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).