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

C15H16N4O6 — CID 56689954

IUPAC5-acetyl-1-[2-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CC(C)n2cc(C(C)=O)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C15H16N4O6/c1-7(19-6-11(9(3)21)13(23)17-15(19)25)4-18-5-10(8(2)20)12(22)16-14(18)24/h5-7H,4H2,1-3H3,(H,16,22,24)(H,17,23,25)
InChIKeyLQBXHOHVYMIBMT-UHFFFAOYSA-N
MW348.32 g/mol
LogP-0.95
Rot. Bonds5

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

5-acetyl-1-[2-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione (PubChem CID 56689954) has the molecular formula C15H16N4O6 and a molecular weight of 348.32 g/mol. Its IUPAC name is 5-acetyl-1-[2-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-[2-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione
PubChem CID56689954
Molecular FormulaC15H16N4O6
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name5-acetyl-1-[2-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CC(C)n2cc(C(C)=O)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C15H16N4O6/c1-7(19-6-11(9(3)21)13(23)17-15(19)25)4-18-5-10(8(2)20)12(22)16-14(18)24/h5-7H,4H2,1-3H3,(H,16,22,24)(H,17,23,25)
InChIKeyLQBXHOHVYMIBMT-UHFFFAOYSA-N
XLogP-0.95
TPSA143.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione
CID 4108328
5-Acetyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 71755660
5-acetyl-1-[10-(5-acetyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)decyl]-2,4(1H,3H)-pyrimidinedione
CID 3656060
5-acetyl-1-isopentylpyrimidine-2,4(1H,3H)-dione
CID 901795
5-acetyl-1-[7-(5-acetyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)heptyl]pyrimidine-2,4(1H,3H)-dione
CID 1815373
5-acetyl-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 1483607
5-Acetyl-3-ethylpyrimidine-2,4(1h,3h)-dione
CID 80643763
5-acetyl-1-[3-(5-acetyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propyl]pyrimidine-2,4(1H,3H)-dione
CID 5079575
5-acetyl-1-hexylpyrimidine-2,4(1H,3H)-dione
CID 56690069
5-acetyl-1-[5-(5-acetyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentyl]pyrimidine-2,4(1H,3H)-dione
CID 145922020
5-Ethyl-1-[2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione
CID 20278042
2-[[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 26302605

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-[2-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-[2-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione (CID 56689954) is 5-acetyl-1-[2-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-[2-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-[2-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione is CC(=O)c1cn(CC(C)n2cc(C(C)=O)c(=O)[nH]c2=O)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-[2-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
The InChIKey is LQBXHOHVYMIBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O6/c1-7(19-6-11(9(3)21)13(23)17-15(19)25)4-18-5-10(8(2)20)12(22)16-14(18)24/h5-7H,4H2,1-3H3,(H,16,22,24)(H,17,23,25).
What are the key properties of 5-acetyl-1-[2-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
5-acetyl-1-[2-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione has a molecular weight of 348.32 g/mol, XLogP of -0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-[2-(5-acetyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56689954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).