5-acetyl-1-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione

C22H30N4O6 — CID 3656060

IUPAC5-acetyl-1-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCCCCCCCCCn2cc(C(C)=O)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C22H30N4O6/c1-15(27)17-13-25(21(31)23-19(17)29)11-9-7-5-3-4-6-8-10-12-26-14-18(16(2)28)20(30)24-22(26)32/h13-14H,3-12H2,1-2H3,(H,23,29,31)(H,24,30,32)
InChIKeyYBBXBSHANRIREL-UHFFFAOYSA-N
MW446.50 g/mol
LogP1.61
Rot. Bonds13

About 5-acetyl-1-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione

5-acetyl-1-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione (PubChem CID 3656060) has the molecular formula C22H30N4O6 and a molecular weight of 446.50 g/mol. Its IUPAC name is 5-acetyl-1-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione
PubChem CID3656060
Molecular FormulaC22H30N4O6
Molecular Weight446.50 g/mol
Exact Mass446.22
IUPAC Name5-acetyl-1-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCCCCCCCCCn2cc(C(C)=O)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C22H30N4O6/c1-15(27)17-13-25(21(31)23-19(17)29)11-9-7-5-3-4-6-8-10-12-26-14-18(16(2)28)20(30)24-22(26)32/h13-14H,3-12H2,1-2H3,(H,23,29,31)(H,24,30,32)
InChIKeyYBBXBSHANRIREL-UHFFFAOYSA-N
XLogP1.61
TPSA143.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 51.61
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-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione (CID 3656060) is 5-acetyl-1-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione is CC(=O)c1cn(CCCCCCCCCCn2cc(C(C)=O)c(=O)[nH]c2=O)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione?
The InChIKey is YBBXBSHANRIREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O6/c1-15(27)17-13-25(21(31)23-19(17)29)11-9-7-5-3-4-6-8-10-12-26-14-18(16(2)28)20(30)24-22(26)32/h13-14H,3-12H2,1-2H3,(H,23,29,31)(H,24,30,32).
What are the key properties of 5-acetyl-1-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione?
5-acetyl-1-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione has a molecular weight of 446.50 g/mol, XLogP of 1.61, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-[10-(5-acetyl-2,4-dioxopyrimidin-1-yl)decyl]pyrimidine-2,4-dione is sourced from PubChem (CID 3656060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).