(5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate

C9H10N2O6 — CID 13015851

IUPAC(5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate
SMILESCC(=O)OCc1[nH]c(=O)[nH]c(=O)c1OC(C)=O
InChIInChI=1S/C9H10N2O6/c1-4(12)16-3-6-7(17-5(2)13)8(14)11-9(15)10-6/h3H2,1-2H3,(H2,10,11,14,15)
InChIKeyWHFPWDGOEGJMAM-UHFFFAOYSA-N
MW242.19 g/mol
LogP-0.95
Rot. Bonds3

About (5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate

(5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate (PubChem CID 13015851) has the molecular formula C9H10N2O6 and a molecular weight of 242.19 g/mol. Its IUPAC name is (5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate.

Molecular Properties

Compound Name(5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate
PubChem CID13015851
Molecular FormulaC9H10N2O6
Molecular Weight242.19 g/mol
Exact Mass242.05
IUPAC Name(5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate
SMILESCC(=O)OCc1[nH]c(=O)[nH]c(=O)c1OC(C)=O
InChIInChI=1S/C9H10N2O6/c1-4(12)16-3-6-7(17-5(2)13)8(14)11-9(15)10-6/h3H2,1-2H3,(H2,10,11,14,15)
InChIKeyWHFPWDGOEGJMAM-UHFFFAOYSA-N
XLogP-0.95
TPSA118.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate?
The IUPAC name of (5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate (CID 13015851) is (5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate.
What is the SMILES notation for (5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate?
The canonical SMILES for (5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate is CC(=O)OCc1[nH]c(=O)[nH]c(=O)c1OC(C)=O.
What is the InChIKey of (5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate?
The InChIKey is WHFPWDGOEGJMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O6/c1-4(12)16-3-6-7(17-5(2)13)8(14)11-9(15)10-6/h3H2,1-2H3,(H2,10,11,14,15).
What are the key properties of (5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate?
(5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate has a molecular weight of 242.19 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxy-2,4-dioxo-1H-pyrimidin-6-yl)methyl acetate is sourced from PubChem (CID 13015851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).